Atazanavir sulfateProduct ingredient for Atazanavir
- Name
- Atazanavir sulfate
- Drug Entry
- Atazanavir
Atazanavir (formerly known as BMS-232632) is an antiretroviral drug of the protease inhibitor (PI) class. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus (HIV). Atazanavir is distinguished from other PIs in that it can be given once daily (rather than requiring multiple doses per day) and has lesser effects on the patient's lipid profile (the amounts of cholesterol and other fatty substances in the blood). Like other protease inhibitors, it is used only in combination with other HIV medications. The U.S. Food and Drug Administration (FDA) approved atazanavir on June 20, 2003.
- Accession Number
- DBSALT000426
- Structure
Structure for Atazanavir sulfate (DBSALT000426)
- Synonyms
- Not Available
- UNII
- 4MT4VIE29P
- CAS Number
- 229975-97-7
- Weight
- Average: 802.934
Monoisotopic: 802.35712729 - Chemical Formula
- C38H54N6O11S
- InChI Key
- DQSGVVGOPRWTKI-QVFAWCHISA-N
- InChI
- InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1
- IUPAC Name
- (2S)-2-{[hydroxy(methoxy)methylidene]amino}-N-[(2S,3S)-3-hydroxy-4-({[(2S)-1-hydroxy-2-{[hydroxy(methoxy)methylidene]amino}-3,3-dimethylbutylidene]amino}({[4-(pyridin-2-yl)phenyl]methyl})amino)-1-phenylbutan-2-yl]-3,3-dimethylbutanimidic acid; sulfuric acid
- SMILES
- OS(O)(=O)=O.[H][C@](O)(CN(CC1=CC=C(C=C1)C1=CC=CC=N1)N=C(O)[C@@]([H])(N=C(O)OC)C(C)(C)C)[C@]([H])(CC1=CC=CC=C1)N=C(O)[C@@]([H])(N=C(O)OC)C(C)(C)C
- External Links
- PubChem Compound
- 158550
- ChemSpider
- 139472
- ChEBI
- 31243
- ChEMBL
- CHEMBL1200678
- Wikipedia
- Atazanavir
- Predicted Properties
Property Value Source Water Solubility 0.00396 mg/mL ALOGPS logP 4.36 ALOGPS logP 5.86 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 3.36 Chemaxon pKa (Strongest Basic) 4.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 185.18 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 194.43 m3·mol-1 Chemaxon Polarizability 76.97 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon