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Substance Name: Abacavir sulfate, (+/-)-
RN: 1423331-68-3
UNII: 1PPL256S5A
InChIKey: WMHSRBZIJNQHKT-FFKFEZPRSA-N

Molecular Formula

  • 2C14-H18-N6-O.H2-O4-S

Molecular Weight

  • 670.7522
 
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Names and Synonyms

Name of Substance

  • Abacavir sulfate, (+/-)-

Synonyms

  • 2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-, rel-, sulfate (2:1)
  • Abacavir sulfate, (+/-)-
  • UNII-1PPL256S5A

Registry Numbers

CAS Registry Number

  • 1423331-68-3

FDA UNII

  • 1PPL256S5A

System Generated Number

  • 1423331683

Structure Descriptors

InChI

1S/2C14H18N6O.H2O4S/c2*15-14-18-12(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/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1

InChIKey

WMHSRBZIJNQHKT-FFKFEZPRSA-N

Smiles

Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1.Nc5nc(NC6CC6)c7ncn([C@@H]8C[C@H](CO)C=C8)c7n5.OS(=O)(=O)O