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Substance Name: CGP-4645 glucuronide
RN: 402491-30-9
UNII: SV3F5P90JR
InChIKey: IPWWFVALEDKGPE-BHWDSYMASA-N

Molecular Formula

  • C21-H18-N2-O7

Molecular Weight

  • 410.3802
 
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Names and Synonyms

Name of Substance

  • CGP-4645 glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, bis(4-cyanophenyl)methyl
  • CGP 46 45 glucuronide
  • CGP-4645 glucuronide
  • UNII-SV3F5P90JR

Registry Numbers

CAS Registry Number

  • 402491-30-9

FDA UNII

  • SV3F5P90JR

System Generated Number

  • 0402491309

Structure Descriptors

InChI

InChI=1S/C21H18N2O7/c22-9-11-1-5-13(6-2-11)18(14-7-3-12(10-23)4-8-14)29-21-17(26)15(24)16(25)19(30-21)20(27)28/h1-8,15-19,21,24-26H,(H,27,28)/t15-,16-,17+,19-,21+/m0/s1

InChIKey

IPWWFVALEDKGPE-BHWDSYMASA-N

Smiles

O[C@H]1[C@H](OC(c2ccc(cc2)C#N)c3ccc(cc3)C#N)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O