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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2771 | 77-86-1 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -4.611 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.296 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.414 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 0.628 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 98.480 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 98.730 | % | High | 1 |
| herg | hERG pIC50 | 4.421 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.130 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 2.938 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 98.310 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IRAK1,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 40 | |||
| kinase-selectivity-class | ACVR2B,ACVRL1,ALK,AURKB,AXL,BMX,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK9,CHUK,DDR1,DYRK1A,DYRK1B,EPHB4,ERBB2,GSK3B,INSR,IRAK1,IRAK3,IRAK4,KIT,MAP2K6,MAP3K21,MAP4K1,MAP4K3,MAPK1,MAPK11,NTRK1,PAK4,PIK3CD,PRKDC,SIK2,SIK3,SRC,SYK,TEK,TGFBR1,TYRO3 | 46 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.309 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.499 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 99.250 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.385 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 98.160 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.982 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 97.270 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 99.250 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1132.400 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 16, 1965 | FDA | HOSPIRA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | B05BB03 | BLOOD AND BLOOD FORMING ORGANS BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS I.V. SOLUTIONS Solutions affecting the electrolyte balance |
| ATC | B05XX02 | BLOOD AND BLOOD FORMING ORGANS BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS I.V. SOLUTION ADDITIVES Other i.v. solution additives |
| MeSH PA | D002021 | Buffers |
| MeSH PA | D005079 | Excipients |
| MeSH PA | D010592 | Pharmaceutic Aids |
| MeSH PA | D014677 | Pharmaceutical Vehicles |
| CHEBI has role | CHEBI:35225 | buffer compounds |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Post-Op Photophobia | indication | ||
| Postoperative Ocular Pain | indication | ||
| Post-Op Ocular Inflammation | indication | ||
| Anuria | contraindication | 2472002 | DOID:2983 |
| Respiratory acidosis | contraindication | 12326000 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Hyperkalemia | contraindication | 14140009 | |
| Disorder of cornea | contraindication | 15250008 | DOID:10124 |
| Acute gastric ulcer with perforation | contraindication | 19850005 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Hypovolemia | contraindication | 28560003 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Uremia | contraindication | 44730006 | DOID:4676 |
| Tear film insufficiency | contraindication | 46152009 | |
| Chronic heart failure | contraindication | 48447003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Corneal erosion | contraindication | 50792001 | |
| Duodenal ulcer disease | contraindication | 51868009 | DOID:1724 |
| Acute nephropathy | contraindication | 58574008 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Rheumatoid arthritis | contraindication | 69896004 | DOID:7148 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Hemophilia | contraindication | 90935002 | |
| Corneal degeneration | contraindication | 111521006 | DOID:1237 |
| Perioperative care | contraindication | 133897009 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Impaired renal function disorder | contraindication | 197663003 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Coronary artery bypass graft | contraindication | 232717009 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Hypoglycemic disorder | contraindication | 237630007 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Cerebral hemorrhage | contraindication | 274100004 | |
| Pregnancy, function | contraindication | 289908002 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Smokes tobacco daily | contraindication | 449868002 | |
| Salicylate Intoxication | contraindication | ||
| Preoperative Pain Management | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.07 | acidic |
| pKa2 | 13.54 | acidic |
| pKa3 | 8.25 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4018096 | VUID |
| N0000146434 | NUI |
| D00396 | KEGG_DRUG |
| 4018096 | VANDF |
| C0041175 | UMLSCUI |
| CHEBI:9754 | CHEBI |
| CHEMBL1200391 | ChEMBL_ID |
| DB03754 | DRUGBANK_ID |
| 6503 | PUBCHEM_CID |
| 10865 | RXNORM |
| 5644 | MMSL |
| 80879 | MMSL |
| d00472 | MMSL |
| 000751 | NDDF |
| 404882002 | SNOMEDCT_US |
| 59034000 | SNOMEDCT_US |
| D014325 | MESH_DESCRIPTOR_UI |
| TMN | PDB_CHEM_ID |
| TRS | PDB_CHEM_ID |
| 1108 | INN_ID |
| 7328 | IUPHAR_LIGAND_ID |
| 023C2WHX2V | UNII |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| TROMETHAMINE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0264-8031 | INJECTION, SOLUTION | 3.60 g | INTRAVENOUS | ANDA | 17 sections |
| THAM | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0409-1593 | INJECTION, SOLUTION | 3.60 g | INTRAVENOUS | NDA | 17 sections |
| SOORYEHAN HYO FERMENTED SUN BLOCK | HUMAN OTC DRUG LABEL | 7 | 53208-549 | CREAM | 2.63 mL | TOPICAL | OTC monograph not final | 7 sections |
| Tromethamine | HUMAN PRESCRIPTION DRUG LABEL | 1 | 71357-001 | INJECTION, SOLUTION | 3.60 g | INTRAVENOUS | ANDA | 11 sections |
| AnubisMed | HUMAN OTC DRUG LABEL | 28 | 83021-551 | CREAM | 0.22 g | TOPICAL | OTC monograph final | 7 sections |
| Anubis Barcelona Protective Line | HUMAN OTC DRUG LABEL | 27 | 83021-686 | CREAM | 0.22 g | TOPICAL | OTC monograph final | 9 sections |