Abacavir sulfate

CAS Registry Number®

188062-50-2
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CAS Name

Abacavir sulfate

Molecular Formula

C14H18N6O.1/2H2O4S

Cite this Page

Abacavir sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=188062-50-2 (retrieved 2022-10-06) (CAS RN: 188062-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18N6O.H2O4S/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t8-,10+;/m1./s1

InChIKey

InChIKey=MBFKCGGQTYQTLR-SCYNACPDSA-N

SMILES

S(=O)(=O)(O)O.N(C1=C2C(N(C=N2)[C@@]3(C[C@H](CO)C=C3)[H])=NC(N)=N1)C4CC4

Canonical SMILES

O=S(=O)(O)O.OCC1C=CC(N2C=NC=3C(=NC(=NC32)N)NC4CC4)C1

Other Names for this Substance

  • 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-, sulfate (2:1)
  • 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S-cis)-, sulfate (2:1) (salt)
  • 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)-, sulfate (2:1) (salt)
  • 1592U89 sulfate
  • Abacavir sulfate