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| Stem definition | Drug id | CAS RN |
|---|---|---|
| beta-lactamase inhibitors | 2492 | 68373-14-8 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | P |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 285.97 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Vd (Volume of distribution) | 0.32 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.62 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.10 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.053 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 3.664 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.265 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.871 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 70.670 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 55.160 | % | High | 1 |
| herg | hERG pIC50 | 4.767 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.186 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 4.467 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 51.210 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 52 | |||
| kinase-selectivity-class | ACVR2B,AXL,CDK9,EIF2AK3,GRK2,MAP2K6,TEK,TGFBR1 | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.653 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.327 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 74.910 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.379 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 63.470 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.280 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 93.230 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 43.480 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 807.235 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 31, 1986 | FDA | PFIZER |
| 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 |
|---|---|---|---|---|---|---|
| Enterocolitis haemorrhagic | 70.58 | 26.94 | 14 | 1739 | 1718 | 90624976 |
| Hepatic function abnormal | 59.30 | 26.94 | 25 | 1728 | 46263 | 90580431 |
| Culture stool positive | 41.94 | 26.94 | 7 | 1746 | 327 | 90626367 |
| Stevens-Johnson syndrome | 34.73 | 26.94 | 15 | 1738 | 29361 | 90597333 |
| Klebsiella infection | 33.36 | 26.94 | 11 | 1742 | 10286 | 90616408 |
| Toxic epidermal necrolysis | 33.26 | 26.94 | 15 | 1738 | 32513 | 90594181 |
| Epidermolysis | 30.51 | 26.94 | 6 | 1747 | 703 | 90625991 |
| 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 |
|---|---|---|---|---|---|---|
| Kidney duplex | 64.67 | 21.63 | 12 | 2088 | 399 | 42618836 |
| Cardiac septal defect | 54.52 | 21.63 | 12 | 2088 | 948 | 42618287 |
| Enterocolitis haemorrhagic | 42.34 | 21.63 | 10 | 2090 | 1081 | 42618154 |
| Hepatic function abnormal | 39.50 | 21.63 | 27 | 2073 | 51540 | 42567695 |
| Interstitial lung disease | 25.64 | 21.63 | 25 | 2075 | 78437 | 42540798 |
| Pyrexia | 24.15 | 21.63 | 57 | 2043 | 393985 | 42225250 |
| Aspartate aminotransferase increased | 22.29 | 21.63 | 23 | 2077 | 77140 | 42542095 |
| Respiratory failure | 21.65 | 21.63 | 29 | 2071 | 128103 | 42491132 |
| 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 |
|---|---|---|---|---|---|---|
| Enterocolitis haemorrhagic | 108.34 | 23.24 | 23 | 3234 | 2581 | 110583461 |
| Hepatic function abnormal | 77.24 | 23.24 | 42 | 3215 | 89253 | 110496789 |
| Culture stool positive | 46.03 | 23.24 | 9 | 3248 | 669 | 110585373 |
| Aspartate aminotransferase increased | 38.05 | 23.24 | 34 | 3223 | 159902 | 110426140 |
| Stevens-Johnson syndrome | 34.89 | 23.24 | 20 | 3237 | 46881 | 110539161 |
| Toxic epidermal necrolysis | 31.37 | 23.24 | 20 | 3237 | 56707 | 110529335 |
| Alanine aminotransferase increased | 28.62 | 23.24 | 31 | 3226 | 183742 | 110402300 |
| Respiratory failure | 26.24 | 23.24 | 32 | 3225 | 215300 | 110370742 |
| Interstitial lung disease | 26.18 | 23.24 | 26 | 3231 | 139308 | 110446734 |
| Pneumonia | 25.94 | 23.24 | 70 | 3187 | 876644 | 109709398 |
| Epidermolysis | 24.96 | 23.24 | 6 | 3251 | 1172 | 110584870 |
| Klebsiella infection | 24.77 | 23.24 | 12 | 3245 | 19997 | 110566045 |
| Rash | 24.73 | 23.24 | 66 | 3191 | 820898 | 109765144 |
| Sepsis | 23.89 | 23.24 | 38 | 3219 | 327308 | 110258734 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J01CG01 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Beta-lactamase inhibitors |
| ATC | J01CG30 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE BETA-LACTAM ANTIBACTERIALS, PENICILLINS Beta-lactamase inhibitors |
| FDA MoA | N0000000202 | beta Lactamase Inhibitors |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D065093 | beta-Lactamase Inhibitors |
| FDA EPC | N0000175930 | beta Lactamase Inhibitor |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35441 | antiinfective agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Infection due to Escherichia coli | indication | 71057007 | |
| Rhinoscleroma | indication | 72409005 | DOID:11336 |
| Cholangitis | indication | 82403002 | DOID:9446 |
| Female genital tract infection | indication | 125585007 | |
| Infectious disease of abdomen | indication | 128070006 | |
| Infection due to Enterobacteriaceae | indication | 128945009 | |
| Bacterial peritonitis | indication | 197171003 | |
| Infection due to Staphylococcus aureus | indication | 406602003 | |
| Ventilator-associated bacterial pneumonia caused by acinetobacter baumannii-calcoaceticus complex | indication | 429271009 | |
| Infection caused by carbapenem-resistant acinetobacter baumannii-calcoaceticus complex | indication | 445780006 | |
| Hospital-acquired bacterial pneumonia caused by acinetobacter baumannii-calcoaceticus complex | indication | 1010634002 | |
| Intra-Abdominal E. Coli Abscess | indication | ||
| E. Coli Peritonitis | indication | ||
| Skin and Skin Structure Acinetobacter Infection | indication | ||
| E. Coli Gynecological Infections | indication | ||
| Klebsiella Pneumoniae Peritonitis | indication | ||
| Skin and Skin Structure Bacteroides Fragilis Infection | indication | ||
| Bacteroides Gynecological Infections | indication | ||
| Inflammatory Disease of Female Pelvic Organs | indication | ||
| Bacteroides Peritonitis | indication | ||
| Skin and Skin Structure Proteus Infection | indication | ||
| Streptococcal meningitis | off-label use | 4510004 | DOID:11574 |
| Pyrexia of unknown origin | off-label use | 7520000 | |
| Bacterial pneumonia | off-label use | 53084003 | DOID:874 |
| Infection of bone | off-label use | 111253001 | |
| Meningococcal meningitis | off-label use | 192644005 | |
| Sepsis of the newborn | off-label use | 206376005 | |
| Human bite - wound | off-label use | 262555007 | |
| Diverticulitis of gastrointestinal tract | off-label use | 271366000 | |
| Neonatal meningitis | off-label use | 276674008 | |
| Dog bite - wound | off-label use | 283734005 | |
| Cat bite - wound | off-label use | 283782004 | |
| Infective otitis media | off-label use | 312218008 | |
| Diabetic Foot Infection | off-label use | ||
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Infectious mononucleosis | contraindication | 271558008 | DOID:8568 |
| Pseudomembranous enterocolitis | contraindication | 397683000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.1 | acidic |
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
|---|---|---|---|---|---|---|---|---|---|---|
| EQ 500MG BASE/VIAL; EQ 500MG BASE/VIAL;EQ 1GM BASE/VIAL | XACDURO (COPACKAGED) | ENTASIS THERAP | N216974 | May 23, 2023 | RX | POWDER | INTRAVENOUS | 9623014 | April 2, 2033 | TREATMENT OF HOSPITAL-ACQUIRED BACTERIAL PNEUMONIA AND VENTILATOR-ASSOCIATED BACTERIAL PNEUMONIA (HABP/VABP) |
| EQ 500MG BASE/VIAL; EQ 500MG BASE/VIAL;EQ 1GM BASE/VIAL | XACDURO (COPACKAGED) | ENTASIS THERAP | N216974 | May 23, 2023 | RX | POWDER | INTRAVENOUS | 10376499 | Nov. 17, 2035 | TREATMENT OF HOSPITAL-ACQUIRED BACTERIAL PNEUMONIA AND VENTILATOR-ASSOCIATED BACTERIAL PNEUMONIA (HABP/VABP) |
| EQ 500MG BASE/VIAL; EQ 500MG BASE/VIAL;EQ 1GM BASE/VIAL | XACDURO (COPACKAGED) | ENTASIS THERAP | N216974 | May 23, 2023 | RX | POWDER | INTRAVENOUS | 9968593 | Nov. 17, 2035 | TREATMENT OF HOSPITAL-ACQUIRED BACTERIAL PNEUMONIA AND VENTILATOR-ASSOCIATED BACTERIAL PNEUMONIA (HABP/VABP) |
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Exclusivity date | Description |
|---|---|---|---|---|---|---|---|---|---|
| EQ 500MG BASE/VIAL; EQ 500MG BASE/VIAL;EQ 1GM BASE/VIAL | XACDURO (COPACKAGED) | ENTASIS THERAP | N216974 | May 23, 2023 | RX | POWDER | INTRAVENOUS | May 23, 2028 | NEW CHEMICAL ENTITY |
| EQ 500MG BASE/VIAL; EQ 500MG BASE/VIAL;EQ 1GM BASE/VIAL | XACDURO (COPACKAGED) | ENTASIS THERAP | N216974 | May 23, 2023 | RX | POWDER | INTRAVENOUS | May 23, 2033 | GENERATING ANTIBIOTIC INCENTIVES NOW |
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Serine beta-lactamase-like protein LACTB, mitochondrial | Enzyme | IC50 | 5.01 | WOMBAT-PK | |||||
| Beta-lactamase TEM | Enzyme | INHIBITOR | Ki | 6.10 | CHEMBL | CHEMBL | |||
| Beta-lactamase | Enzyme | IC50 | 5.19 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 4.18 | CHEMBL | |||||
| Beta-lactamase SHV-1 | Enzyme | IC50 | 5.41 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 6 | CHEMBL | |||||
| Beta-lactamase OXA-1 | Enzyme | IC50 | 4.66 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 4.57 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.21 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 7.12 | CHEMBL | |||||
| Carbapenem-hydrolizing beta-lactamase SFC-1 | Enzyme | IC50 | 4.64 | CHEMBL | |||||
| Beta-lactamase GES-13 | Enzyme | IC50 | 6.43 | CHEMBL | |||||
| Class D beta-lactamase | Enzyme | IC50 | 4.92 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.62 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.95 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.11 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.40 | CHEMBL | |||||
| Beta-lactamase TEM | Enzyme | Ki | 6.10 | WOMBAT-PK | |||||
| ADC-18 protein | Enzyme | IC50 | 4.93 | CHEMBL | |||||
| Beta-lactamase 1 | Enzyme | IC50 | 4.60 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.52 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 5.52 | CHEMBL |
| ID | Source |
|---|---|
| 4019937 | VUID |
| N0000148022 | NUI |
| D02223 | KEGG_DRUG |
| 69388-84-7 | SECONDARY_CAS_RN |
| 4019381 | VANDF |
| 4019937 | VANDF |
| C0038665 | UMLSCUI |
| CHEBI:9321 | CHEBI |
| 0RN | PDB_CHEM_ID |
| CHEMBL403 | ChEMBL_ID |
| DB09324 | DRUGBANK_ID |
| CHEMBL1200944 | ChEMBL_ID |
| D013407 | MESH_DESCRIPTOR_UI |
| 130313 | PUBCHEM_CID |
| 10769 | IUPHAR_LIGAND_ID |
| 4845 | INN_ID |
| S4TF6I2330 | UNII |
| 10167 | RXNORM |
| 5520 | MMSL |
| d04403 | MMSL |
| 002811 | NDDF |
| 002812 | NDDF |
| 398916003 | SNOMEDCT_US |
| 412516007 | SNOMEDCT_US |
| 96008003 | SNOMEDCT_US |
| S4TF6I2330 | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-0013 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAMUSCULAR | NDA | 25 sections |
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-0014 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 25 sections |
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-0024 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAMUSCULAR | NDA | 25 sections |
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-0710 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAMUSCULAR | NDA | 25 sections |
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-1515 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAMUSCULAR | NDA | 25 sections |
| UNASYN | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0049-3003 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAMUSCULAR | NDA | 25 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0409-2689 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 25 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0409-2987 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 25 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0641-6116 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 24 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0641-6117 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 24 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 0641-6118 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAVENOUS | ANDA | 24 sections |
| ampicillin and sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 25021-142 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 26 sections |
| ampicillin and sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 25021-143 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 26 sections |
| ampicillin and sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 25021-144 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAVENOUS | ANDA | 25 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 36000-094 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 26 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 36000-095 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 26 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 44567-150 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 44567-210 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 44567-211 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | HUMAN PRESCRIPTION DRUG LABEL | 2 | 44567-212 | INJECTION, POWDER, FOR SOLUTION | 5 g | INTRAVENOUS | ANDA | 21 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-116 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-116 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-116 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-117 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-117 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-117 | INJECTION, POWDER, FOR SOLUTION | 1 g | INTRAMUSCULAR | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-118 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-118 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-118 | INJECTION, POWDER, FOR SOLUTION | 50 mg | INTRAVENOUS | ANDA | 23 sections |
| Ampicillin and Sulbactam | Human Prescription Drug Label | 2 | 55150-178 | INJECTION, POWDER, FOR SOLUTION | 0.50 g | INTRAVENOUS | ANDA | 23 sections |