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Darunavir

CAS Registry Number®

206361-99-1

CAS Name

Darunavir

Molecular Formula

C27H37N3O7S

Molecular Mass

547.66

Cite this Page

Darunavir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=206361-99-1 (retrieved 2024-11-23) (CAS RN: 206361-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H37N3O7S/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/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1

InChIKey

InChIKey=CJBJHOAVZSMMDJ-HEXNFIEUSA-N

SMILES

O(C(N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(N)C=C1)CC(C)C)O)CC2=CC=CC=C2)=O)[C@@H]3[C@]4([C@@](OC3)(OCC4)[H])[H]

Canonical SMILES

O=C(OC1COC2OCCC21)NC(CC=3C=CC=CC3)C(O)CN(CC(C)C)S(=O)(=O)C4=CC=C(N)C=C4

Other Names for this Substance

  • Carbamic acid, N-[(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
  • Carbamic acid, [3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester, [3R-[3α(1S*,2R*),3aβ,6aβ]]-
  • 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
  • (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • Darunavir

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Deleted or Replaced CAS Registry Numbers

618109-00-5, 1097732-88-1

CAS INSIGHTSTM
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