Atazanavir Bisulfate Salt
Product Code
TRC-A790050
CAS Number
Product Format
Neat
Molecular Formula
C38 H52 N6 O7 . H2 O4 S
Molecular Weight
802.93
Product Categories
TRC, Chiral Molecules , Enzyme inhibitors, Enzyme inhibitors, API Reference Standards & Research Materials, Anti-HIV agents, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials
Product Type
APIAlternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Atazanavir Sulfate
CAS Number
229975-97-7
Molecular Formula
C38 H52 N6 O7 . H2 O4 S
Molecular Weight
802.93
Accurate Mass
802.3571
SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.OS(=O)(=O)O
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
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;sulfuric acid
Alternate CAS Number
Free base: 198904-31-3
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
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