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Substance Name: Darunavir ethanolate
RN: 635728-49-3
UNII: 33O78XF0BW
InChIKey: QWSHKNICRJHQCY-VBTXLZOXSA-N

Note

  • An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.

Molecular Formula

  • C27-H37-N3-O7-S.C2-H6-O

Molecular Weight

  • 593.7377
 

Classification Code

  • HIV Protease Inhibitors

Names and Synonyms

Results Name

  • Darunavir ethanolate

Name of Substance

  • Darunavir ethanolate

Synonyms

  • Darunavir ethanolate
  • UNII-33O78XF0BW

Systematic Name

  • Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester, compd. with ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 635728-49-3

FDA UNII

  • 33O78XF0BW

Other Registry Number

  • 635728-39-1

System Generated Number

  • 0635728493

Molecular Formulas

Molecular Formula

  • C27-H37-N3-O7-S.C2-H6-O

Molecular Formula Fragments

  • C2-H6-O
  • C27-H37-N3-O7-S
  • COMPONENT

Structure Descriptors

InChI

1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1

InChIKey

QWSHKNICRJHQCY-VBTXLZOXSA-N

Smiles

CCO.CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N