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Substance Name: Atazanavir sulfate [USAN]
RN: 229975-97-7
UNII: 4MT4VIE29P
InChIKey: DQSGVVGOPRWTKI-QVFAWCHISA-N

Note

  • An azapeptide and HIV-PROTEASE INHIBITOR that is used in the treatment of HIV INFECTIONS and AIDS in combination with other ANTI-HIV AGENTS.

Molecular Formula

  • C38-H52-N6-O7.H2-O4-S

Molecular Weight

  • 802.9416
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral Agents
  • Enzyme Inhibitors
  • HIV Protease Inhibitor
  • HIV Protease Inhibitors
  • Protease Inhibitors
  • Treatment of Acute and Chronic HIV Infection (HIV Protease Inhibitor)
  • Viral Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Atazanavir sulfate [USAN]

MeSH Heading

  • Atazanavir Sulfate

Synonyms

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)
  • Atazanavir sulfate
  • BMS-232632-05
  • Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)
  • NSC 742546
  • Reyataz
  • UNII-4MT4VIE29P
  • Zrivada

Systematic Name

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 229975-97-7

FDA UNII

  • 4MT4VIE29P

System Generated Number

  • 0229975977

Molecular Formulas

Molecular Formula

  • C38-H52-N6-O7.H2-O4-S

Molecular Formula Fragments

  • C38-H52-N6-O7
  • COMPONENT
  • H2-O4-S

Structure Descriptors

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

InChIKey

DQSGVVGOPRWTKI-QVFAWCHISA-N

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