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Substance Name: Diphenhydramine N-glucuronide
RN: 137908-78-2
InChIKey: OAIGZXXQYIJBLR-WJJPVSRMSA-N

Molecular Formula

  • C23-H29-N-O7

Molecular Weight

  • 431.482
 
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Names and Synonyms

Results Name

  • Diphenhydramine N-glucuronide

Synonym

  • Diphenhydramine N-glucuronide

Systematic Name

  • Ethanaminium, 2-(diphenylmethoxy)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, inner salt

Registry Numbers

CAS Registry Number

  • 137908-78-2

System Generated Number

  • 0137908782

Structure Descriptors

InChI

1S/C23H29NO7/c1-24(2,22-19(27)17(25)18(26)21(31-22)23(28)29)13-14-30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-22,25-27H,13-14H2,1-2H3/t17-,18-,19+,21-,22+/m0/s1

InChIKey

OAIGZXXQYIJBLR-WJJPVSRMSA-N

Smiles

O1[C@H](C(=O)[O-])[C@H]([C@@H]([C@H](O)[C@@H]1[N+](C)(C)CCOC(c1ccccc1)c1ccccc1)O)O