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Substance Name: Indinavir [USAN:INN:BAN]
RN: 180683-37-8
UNII: 5W6YA9PKKH
InChIKey: XTYSXGHMTNTKFH-BDEHJDMKSA-N

Note

  • A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.

Molecular Formula

  • C36-H47-N5-O4.H2-O

Molecular Weight

  • 631.8131
 

Classification Codes

  • Anti-HIV Agents
  • Anti-Infective Agents
  • Anti-Retroviral Agents
  • Antiviral
  • Antiviral Agents
  • Enzyme Inhibitors
  • HIV Protease Inhibitors
  • Protease Inhibitors
  • Viral Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Indinavir [USAN:INN:BAN]

MeSH Heading

  • Indinavir

Synonyms

  • (alphaR,gammaS,2S)-alpha-Benzyl-2-(tert-butylcarbamoyl)-gamma-hydroxy-N-((1S,2R)-2-hydroxy-1-indanyl)-4-(3-pyridylmethyl)-1-piperazinevaleramide monohydrate
  • D-erythro-Pentonamide, 2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-, monohydrate, (1(1S,2R),5(S))-
  • Indinavir
  • Indinavir hydrate
  • Indinavir monohydrate
  • UNII-5W6YA9PKKH

Systematic Name

  • D-erythro-Pentonamide, 2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-, monohydrate, (1(1S,2R),5(S))-

Registry Numbers

CAS Registry Number

  • 180683-37-8

FDA UNII

  • 5W6YA9PKKH

System Generated Number

  • 0180683378

Molecular Formulas

Molecular Formula

  • C36-H47-N5-O4.H2-O

Molecular Formula Fragments

  • C36-H47-N5-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/C36H47N5O4.H2O/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);1H2/t28-,29+,31+,32-,33+;/m1./s1

InChIKey

XTYSXGHMTNTKFH-BDEHJDMKSA-N

Smiles

O.CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45