Atazanavir
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Also Known As: Atazanavir|Latazanavir|Zrivada|Reyataz|atazanavirum|Atazanavir Base|Atazanavir sulfate|zidovudine|Atazanavir?|Atazanavir sulphate|Atazanavir (INN)|Reyataz (TN)|Atazanavir [INN:BAN]|2aqu|Atazanavir (Standard)|ATAZANAVIR [MI]|CGP 73547|ATAZANAVIR [INN]|3,4-Dinitrobenzylalcohol|ATAZANAVIR [HSDB]|BMS 232632|ATAZANAVIR [VANDF]|ATV & AAG|ATV & HSA|Epitope ID:231713|Reyataz;BMS-232632|ATAZANAVIR [WHO-DD]|cc-607|ATAZANAVIR,BISULFATESALT|Reyataz(TM) (*1:1 sulfate*)|Atazanavir - Bio-X trade mark|Atazanavir, >=98% (HPLC)
| Molecular Formula | C38H52N6O7 |
|---|---|
| Molecular Weight | 704.3898 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 704.3898 |
| Monoisotopic Mass | 704.3898 |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
| Solubility | Free base slightly soluble (4-5 mg/mL) |
Chemical Identifiers
| CAS Number | 229975-97-7 |
|---|---|
| SMILES | CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| InChIKey | AXRYRYVKAWYZBR-GASGPIRDSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atazanavir (CAS 229975-97-7), with molecular formula C38H52N6O7 and molecular weight 704.3898 g/mol. IUPAC: methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.