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Substance Name: Emtricitabine-2'-o-glucuronide
RN: 152128-78-4
UNII: A05BWI66K0
InChIKey: KLILDKWVMCMYID-ANAKBQEJSA-N

Molecular Formula

  • C14-H18-F-N3-O9-S

Molecular Weight

  • 423.3722
 
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Names and Synonyms

Name of Substance

  • Emtricitabine-2'-o-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolan-2-yl)methyl, (2R-cis)
  • Emtricitabine o-beta-D-glucuronide
  • Emtricitabine-2'-o-glucuronide
  • UNII-A05BWI66K0

Registry Numbers

CAS Registry Number

  • 152128-78-4

FDA UNII

  • A05BWI66K0

System Generated Number

  • 0152128784

Structure Descriptors

InChI

1S/C14H18FN3O9S/c15-4-1-18(14(24)17-11(4)16)5-3-28-6(26-5)2-25-13-9(21)7(19)8(20)10(27-13)12(22)23/h1,5-10,13,19-21H,2-3H2,(H,22,23)(H2,16,17,24)/t5-,6+,7-,8-,9+,10-,13+/m0/s1

InChIKey

KLILDKWVMCMYID-ANAKBQEJSA-N

Smiles

c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)F