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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2728 | 396-01-0 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.03 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 10 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 13.15 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 51 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 13 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 63 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.42 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 4.30 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.201 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.360 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 15.849 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.559 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 46.320 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 56.580 | % | High | 1 |
| herg | hERG pIC50 | 4.522 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.560 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.133 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 39.890 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK1,JAK3,MAP3K1,MAP3K10,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK2,PDK2,PIK3CA,PIK3CD,PIK3CG,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 46 | |||
| kinase-selectivity-class | AXL,MAP2K3,MAP3K21,MAPK7,PIK3CD,PIK3CG | 6 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.428 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 4.699 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 46.040 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.623 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 56.520 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.339 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.680 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 51.320 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 106.660 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 10, 1964 | FDA | CONCORDIA PHARMS INC |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Pneumonia aspiration | 65.98 | 14.46 | 46 | 9805 | 40894 | 90577702 |
| Gastrooesophageal reflux disease | 49.95 | 14.46 | 75 | 9776 | 166262 | 90452334 |
| Coma | 43.04 | 14.46 | 46 | 9805 | 72586 | 90546010 |
| Crystal nephropathy | 38.37 | 14.46 | 11 | 9840 | 1140 | 90617456 |
| Myocardial infarction | 37.98 | 14.46 | 52 | 9799 | 105920 | 90512676 |
| Focal segmental glomerulosclerosis | 37.27 | 14.46 | 12 | 9839 | 1839 | 90616757 |
| Blood potassium decreased | 37.05 | 14.46 | 35 | 9816 | 47692 | 90570904 |
| Hyponatraemia | 34.21 | 14.46 | 56 | 9795 | 133482 | 90485114 |
| Underdose | 31.62 | 14.46 | 34 | 9817 | 53983 | 90564613 |
| Somnolence | 29.36 | 14.46 | 68 | 9783 | 209016 | 90409580 |
| Diabetic neuropathy | 26.71 | 14.46 | 12 | 9839 | 4562 | 90614034 |
| Feeling abnormal | 26.40 | 14.46 | 57 | 9794 | 167178 | 90451418 |
| Treatment failure | 22.89 | 14.46 | 3 | 9848 | 303925 | 90314671 |
| Oedema peripheral | 21.27 | 14.46 | 69 | 9782 | 257846 | 90360750 |
| Pulmonary embolism | 21.11 | 14.46 | 45 | 9806 | 130775 | 90487821 |
| Glossodynia | 20.30 | 14.46 | 5 | 9846 | 321774 | 90296822 |
| Infusion related reaction | 20.26 | 14.46 | 10 | 9841 | 416770 | 90201826 |
| Drug intolerance | 19.92 | 14.46 | 12 | 9839 | 447579 | 90171017 |
| Cardiac failure congestive | 19.57 | 14.46 | 37 | 9814 | 98657 | 90519939 |
| Lung neoplasm | 19.55 | 14.46 | 11 | 9840 | 6724 | 90611872 |
| Ileus paralytic | 19.51 | 14.46 | 10 | 9841 | 5075 | 90613521 |
| Transient acantholytic dermatosis | 19.45 | 14.46 | 4 | 9847 | 101 | 90618495 |
| Coronary artery disease | 19.39 | 14.46 | 21 | 9830 | 33602 | 90584994 |
| Blood pressure increased | 19.27 | 14.46 | 56 | 9795 | 197161 | 90421435 |
| Product use issue | 19.18 | 14.46 | 6 | 9845 | 329913 | 90288683 |
| Tubulointerstitial nephritis | 18.55 | 14.46 | 18 | 9833 | 25325 | 90593271 |
| Wound | 18.55 | 14.46 | 5 | 9846 | 302975 | 90315621 |
| Deep vein thrombosis | 17.74 | 14.46 | 34 | 9817 | 91586 | 90527010 |
| Photosensitivity reaction | 17.66 | 14.46 | 15 | 9836 | 17792 | 90600804 |
| Vitamin B6 deficiency | 16.69 | 14.46 | 4 | 9847 | 206 | 90618390 |
| Fear | 16.48 | 14.46 | 14 | 9837 | 16608 | 90601988 |
| Dry skin | 16.22 | 14.46 | 32 | 9819 | 88041 | 90530555 |
| Cerebrovascular accident | 16.05 | 14.46 | 39 | 9812 | 123494 | 90495102 |
| Dehydration | 16.00 | 14.46 | 52 | 9799 | 194395 | 90424201 |
| Off label use | 15.84 | 14.46 | 64 | 9787 | 1102188 | 89516408 |
| Renal failure | 15.59 | 14.46 | 40 | 9811 | 130967 | 90487629 |
| Myalgia | 15.47 | 14.46 | 48 | 9803 | 175077 | 90443519 |
| Hypersomnia | 15.22 | 14.46 | 15 | 9836 | 21516 | 90597080 |
| Completed suicide | 14.95 | 14.46 | 42 | 9809 | 145016 | 90473580 |
| Hypokalaemia | 14.54 | 14.46 | 39 | 9812 | 131077 | 90487519 |
| Therapeutic product effect decreased | 14.51 | 14.46 | 6 | 9845 | 277565 | 90341031 |
| Exposure during pregnancy | 14.47 | 14.46 | 4 | 9847 | 238406 | 90380190 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Lymphopenia | 39.07 | 19.26 | 23 | 3277 | 21540 | 42596495 |
| Dizziness | 22.10 | 19.26 | 55 | 3245 | 249199 | 42368836 |
| Activated partial thromboplastin time prolonged | 21.29 | 19.26 | 14 | 3286 | 15889 | 42602146 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Gastrooesophageal reflux disease | 58.18 | 14.45 | 76 | 9824 | 179900 | 110399499 |
| Pneumonia aspiration | 48.06 | 14.45 | 47 | 9853 | 81186 | 110498213 |
| Myocardial infarction | 45.61 | 14.45 | 70 | 9830 | 192013 | 110387386 |
| Coma | 36.87 | 14.45 | 49 | 9851 | 117820 | 110461579 |
| Hyponatraemia | 36.60 | 14.45 | 68 | 9832 | 217585 | 110361814 |
| Underdose | 36.15 | 14.45 | 36 | 9864 | 63518 | 110515881 |
| Crystal nephropathy | 35.29 | 14.45 | 11 | 9889 | 1845 | 110577554 |
| Completed suicide | 34.99 | 14.45 | 71 | 9829 | 242310 | 110337089 |
| Coronary artery disease | 34.28 | 14.45 | 37 | 9863 | 71653 | 110507746 |
| Blood potassium decreased | 31.42 | 14.45 | 31 | 9869 | 54083 | 110525316 |
| Diabetic neuropathy | 30.13 | 14.45 | 14 | 9886 | 6985 | 110572414 |
| Focal segmental glomerulosclerosis | 30.09 | 14.45 | 12 | 9888 | 4133 | 110575266 |
| Somnolence | 25.36 | 14.45 | 71 | 9829 | 297378 | 110282021 |
| Feeling abnormal | 21.53 | 14.45 | 49 | 9851 | 180662 | 110398737 |
| Cardiac failure congestive | 21.49 | 14.45 | 44 | 9856 | 150956 | 110428443 |
| Emotional distress | 21.18 | 14.45 | 23 | 9877 | 44824 | 110534575 |
| Tubulointerstitial nephritis | 20.83 | 14.45 | 25 | 9875 | 54259 | 110525140 |
| Ileus paralytic | 20.76 | 14.45 | 13 | 9887 | 11724 | 110567675 |
| Deep vein thrombosis | 20.19 | 14.45 | 41 | 9859 | 139846 | 110439553 |
| Pulmonary embolism | 19.06 | 14.45 | 52 | 9848 | 214422 | 110364977 |
| Fear | 18.76 | 14.45 | 16 | 9884 | 23177 | 110556222 |
| Off label use | 18.25 | 14.45 | 71 | 9829 | 1500114 | 109079285 |
| Cerebrovascular accident | 18.20 | 14.45 | 46 | 9854 | 181238 | 110398161 |
| Renal failure | 17.29 | 14.45 | 52 | 9848 | 226522 | 110352877 |
| Pyrexia | 16.40 | 14.45 | 35 | 9865 | 898230 | 109681169 |
| Infusion related reaction | 16.07 | 14.45 | 7 | 9893 | 381155 | 110198244 |
| Dry skin | 16.07 | 14.45 | 32 | 9868 | 107621 | 110471778 |
| Dizziness | 15.96 | 14.45 | 112 | 9788 | 698081 | 109881318 |
| Transient acantholytic dermatosis | 15.68 | 14.45 | 4 | 9896 | 325 | 110579074 |
| Lichenification | 15.16 | 14.45 | 5 | 9895 | 1004 | 110578395 |
| Unevaluable event | 14.62 | 14.45 | 22 | 9878 | 59205 | 110520194 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C03DB02 | CARDIOVASCULAR SYSTEM DIURETICS ALDOSTERONE ANTAGONISTS AND OTHER POTASSIUM-SPARING AGENTS Other potassium-sparing agents |
| FDA PE | N0000008859 | Decreased Renal K+ Excretion |
| FDA PE | N0000175359 | Increased Diuresis |
| FDA EPC | N0000175418 | Potassium-sparing Diuretic |
| MeSH PA | D004232 | Diuretics |
| MeSH PA | D026941 | Sodium Channel Blockers |
| MeSH PA | D045283 | Natriuretic Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| MeSH PA | D062686 | Epithelial Sodium Channel Blockers |
| CHEBI has role | CHEBI:35498 | diuretic |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:38633 | sodium channel blocker |
| CHEBI has role | CHEBI:62868 | hepatoprotective agent |
| CHEBI has role | CHEBI:145947 | antiatherosclerotic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Edema | indication | 267038008 | |
| Peripheral Edema due to Chronic Heart Failure | indication | ||
| Pulmonary Edema due to Chronic Heart Failure | indication | ||
| Hypokalemia | off-label use | 43339004 | |
| Anuria | contraindication | 2472002 | DOID:2983 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Hyperkalemia | contraindication | 14140009 | |
| Secondary angle-closure glaucoma | contraindication | 21571006 | |
| Hypovolemia | contraindication | 28560003 | |
| Dehydration | contraindication | 34095006 | |
| Hyperuricemia | contraindication | 35885006 | DOID:1920 |
| Diabetes mellitus type 2 | contraindication | 44054006 | DOID:9352 |
| Diabetes mellitus type 1 | contraindication | 46635009 | DOID:9744 |
| Acidosis | contraindication | 51387008 | |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Sympathectomy | contraindication | 57071006 | |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
| Hypochloremic alkalosis | contraindication | 70134007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Megaloblastic anemia due to folate deficiency | contraindication | 85649008 | DOID:14026 |
| Hyponatremia | contraindication | 89627008 | |
| Gout | contraindication | 90560007 | DOID:13189 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Kidney stone | contraindication | 95570007 | |
| Hypomagnesemia | contraindication | 190855004 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Neonatal hyperbilirubinemia | contraindication | 281610001 | |
| Pregnancy, function | contraindication | 289908002 | |
| Azotemia | contraindication | 445009001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.22 | Basic |
| pKa2 | 5.5 | Basic |
| pKa3 | 2.21 | Basic |
| pKa4 | 0.54 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Amiloride-sensitive sodium channel, ENaC | Ion channel | BLOCKER | IC50 | 5.30 | IUPHAR | CHEMBL | |||
| Solute carrier family 12 member 1 | Transporter | WOMBAT-PK | |||||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 5 | DRUG MATRIX | |||||
| Caspase-1 | Enzyme | IC50 | 5.44 | DRUG MATRIX | |||||
| Cathepsin G | Enzyme | IC50 | 5.13 | DRUG MATRIX | |||||
| Pteridine reductase 1 | Enzyme | Ki | 5.47 | CHEMBL |
| ID | Source |
|---|---|
| 4017902 | VUID |
| N0000146253 | NUI |
| D00386 | KEGG_DRUG |
| 4017902 | VANDF |
| C0040869 | UMLSCUI |
| CHEBI:9671 | CHEBI |
| DX2 | PDB_CHEM_ID |
| CHEMBL585 | ChEMBL_ID |
| DB00384 | DRUGBANK_ID |
| D014223 | MESH_DESCRIPTOR_UI |
| 5546 | PUBCHEM_CID |
| 4329 | IUPHAR_LIGAND_ID |
| 1266 | INN_ID |
| WS821Z52LQ | UNII |
| 10763 | RXNORM |
| 5617 | MMSL |
| 80875 | MMSL |
| d00396 | MMSL |
| 002315 | NDDF |
| 12512008 | SNOMEDCT_US |
| 387053007 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0527-1632 | CAPSULE | 37.50 mg | ORAL | ANDA | 20 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0591-0348 | TABLET | 75 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0591-0424 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0781-2074 | CAPSULE | 37.50 mg | ORAL | ANDA | 23 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10135-581 | CAPSULE | 37.50 mg | ORAL | ANDA | 20 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10544-049 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10544-076 | TABLET | 37.50 mg | ORAL | NDA | 22 sections |
| Triamterene hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10544-080 | TABLET | 75 mg | ORAL | ANDA | 23 sections |
| Triamterene hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10544-536 | TABLET | 37.50 mg | ORAL | ANDA | 23 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 10544-537 | TABLET | 75 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 16590-338 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 21695-496 | TABLET | 37.50 mg | ORAL | ANDA | 21 sections |
| Triamterene hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 21695-497 | TABLET | 75 mg | ORAL | ANDA | 21 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 21695-839 | CAPSULE | 37.50 mg | ORAL | ANDA | 23 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 33261-365 | TABLET | 75 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 33261-952 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | Human Prescription Drug Label | 2 | 33342-467 | CAPSULE | 37.50 mg | ORAL | ANDA | 11 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 45865-402 | CAPSULE | 37.50 mg | ORAL | ANDA | 24 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-1270 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-1834 | TABLET | 75 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-2028 | CAPSULE | 37.50 mg | ORAL | ANDA | 20 sections |
| triamterene and hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-5801 | TABLET | 37.50 mg | ORAL | ANDA | 17 sections |
| triamterene and hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-6736 | TABLET | 75 mg | ORAL | ANDA | 17 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-6944 | CAPSULE | 37.50 mg | ORAL | ANDA | 22 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-7437 | CAPSULE | 37.50 mg | ORAL | ANDA | 18 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 50090-7438 | CAPSULE | 37.50 mg | ORAL | ANDA | 18 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 51407-286 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 51655-217 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 51655-582 | TABLET | 75 mg | ORAL | ANDA | 19 sections |
| Triamterene and Hydrochlorothiazide | HUMAN PRESCRIPTION DRUG LABEL | 2 | 51655-630 | TABLET | 37.50 mg | ORAL | ANDA | 19 sections |