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Substance Name: Dolutegravir o-beta-D-glucuronide
RN: 1485692-21-4
UNII: JAW8NTAVN5
InChIKey: SSPCEQPHKUWNFL-HSSNMISVSA-N

Molecular Formula

  • C27-H29-F2-N3-O10

Molecular Weight

  • 593.5301
 
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Names and Synonyms

Name of Substance

  • Dolutegravir o-beta-D-glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (4R,12alphaS)-9-((((2,4-difluorophenyl)methyl)amino)carbonyl)-3,4,6,8,12,12alpha-hexahydro-4-methyl-6,8-dioxo-2H-pyrido(1'2':4,5)pyrazino(2,1-beta)(1,3)oxazin-7-yl
  • Dolutegravir o-beta-D-glucuronide
  • M3 of dolutegravir
  • UNII-JAW8NTAVN5

Registry Numbers

CAS Registry Number

  • 1485692-21-4

FDA UNII

  • JAW8NTAVN5

System Generated Number

  • 1485692214

Structure Descriptors

InChI

1S/C27H29F2N3O10/c1-11-4-5-41-18-10-31-9-15(25(37)30-8-12-2-3-13(28)6-16(12)29)21(34)24(19(31)26(38)32(11)18)42-17-7-14(27(39)40)20(33)23(36)22(17)35/h2-3,6,9,11,14,17-18,20,22-23,33,35-36H,4-5,7-8,10H2,1H3,(H,30,37)(H,39,40)/t11-,14+,17-,18+,20-,22+,23+/m1/s1

InChIKey

SSPCEQPHKUWNFL-HSSNMISVSA-N

Smiles

C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCc4ccc(F)cc4F)C(=O)C(=C3C(=O)N12)O[C@@H]5C[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O