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Substance Name: Abacavir 5'-beta-D-glucuronide
RN: 384329-76-4
UNII: 2630IZQ0I0
InChIKey: WGTDUQBKKUUVMK-OLMRCODSSA-N

Molecular Formula

  • C20-H26-N6-O7

Molecular Weight

  • 462.4604
 
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Names and Synonyms

Name of Substance

  • Abacavir 5'-beta-D-glucuronide

Synonyms

  • ((1S,4R)-4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl beta-D-glucopyranosiduronic acid
  • 361W94
  • Abacavir 5'-beta-D-glucuronide
  • beta-D-Glucopyranosiduronic acid, ((1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl
  • UNII-2630IZQ0I0

Registry Numbers

CAS Registry Number

  • 384329-76-4

FDA UNII

  • 2630IZQ0I0

System Generated Number

  • 0384329764

Structure Descriptors

InChI

1S/C20H26N6O7/c21-20-24-16(23-9-2-3-9)11-17(25-20)26(7-22-11)10-4-1-8(5-10)6-32-19-14(29)12(27)13(28)15(33-19)18(30)31/h1,4,7-10,12-15,19,27-29H,2-3,5-6H2,(H,30,31)(H3,21,23,24,25)/t8-,10+,12+,13+,14-,15+,19-/m1/s1

InChIKey

WGTDUQBKKUUVMK-OLMRCODSSA-N

Smiles

Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)C=C4)c3n1