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Substance Name: Indinavir sulfate [USAN:USP]
RN: 157810-81-6
UNII: 771H53976Q
InChIKey: NUBQKPWHXMGDLP-BDEHJDMKSA-N

Note

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

Molecular Formula

  • C36-H47-N5-O4.H2-O4-S

Molecular Weight

  • 711.8761
 

Classification Codes

  • Antiretroviral
  • Antiviral
  • Protease Inhibitor
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Names and Synonyms

Name of Substance

  • Indinavir Sulfate
  • Indinavir sulfate [USAN:USP]

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 sulfate (1:1) (salt)
  • Crixivan
  • 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)-, (1(1S,2R,5(S))-, sulfate (1:1) (salt)
  • DRG-0233
  • HSDB 7158
  • IDV
  • Indinavir Sulfate
  • L 735524
  • L-735,524
  • MK 639
  • MK-639
  • NSC 697197
  • UNII-771H53976Q

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 157810-81-6

FDA UNII

  • 771H53976Q

Related Registry Number

  • 150378-17-9 (Parent)

System Generated Number

  • 0157810816

Molecular Formulas

Molecular Formula

  • C36-H47-N5-O4.H2-O4-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

InChI=1S/C36H47N5O4.H2O4S/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;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1

InChIKey

NUBQKPWHXMGDLP-BDEHJDMKSA-N

Smiles

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.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intraperitoneal > 640mg/kg (640mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.
dog LD50 oral > 640mg/kg (640mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.
rat LD50 oral > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 39, Pg. 2167, 1997.