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Substance Name: Org 5222 glucuronide
RN: 128923-28-4
InChIKey: MONYWLCNIOIULX-NXYWHHHKSA-N

Molecular Formula

  • C23-H22-Cl-N-O9

Molecular Weight

  • 491.8778
 
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Names and Synonyms

Name of Substance

  • Org 5222 glucuronide

Synonym

  • Org-5222-glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(5-chloro-1,3,3a,12b-tetrahydro-2H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 128923-28-4

System Generated Number

  • 0128923284

Structure Descriptors

InChI

1S/C23H22ClNO9/c24-10-5-6-16-12(7-10)14-9-25(8-13(14)11-3-1-2-4-15(11)32-16)23(31)34-22-19(28)17(26)18(27)20(33-22)21(29)30/h1-7,13-14,17-20,22,26-28H,8-9H2,(H,29,30)/t13?,14?,17-,18-,19+,20-,22-/m0/s1

InChIKey

MONYWLCNIOIULX-NXYWHHHKSA-N

Smiles

c1ccc2c(c1)C3CN(CC3c4cc(ccc4O2)Cl)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O