Brecanavir

CAS Registry Number®

313682-08-5
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CAS Name

Brecanavir

Molecular Formula

C33H41N3O10S2

Molecular Mass

703.82

Cite this Page

Brecanavir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=313682-08-5 (retrieved 2024-04-20) (CAS RN: 313682-08-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1

InChIKey

InChIKey=JORVRJNILJXMMG-OLNQLETPSA-N

SMILES

O(C(N[C@@H](CC1=CC=C(OCC=2N=C(C)SC2)C=C1)[C@@H](CN(S(=O)(=O)C=3C=C4C(=CC3)OCO4)CC(C)C)O)=O)[C@@H]5[C@]6([C@@](OC5)(OCC6)[H])[H]

Canonical SMILES

O=C(OC1COC2OCCC21)NC(CC3=CC=C(OCC=4N=C(SC4)C)C=C3)C(O)CN(CC(C)C)S(=O)(=O)C5=CC=C6OCOC6=C5

Other Names for this Substance

  • Carbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
  • Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
  • GW 0385
  • GW 64085X
  • Brecanavir

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Deleted or Replaced CAS Registry Numbers

675184-03-9

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