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Concept information

Preferred term

diphenhydramine n-glucuronide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H29NO7

inchi

  • 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

mass

  • 431.485

monoisotopicmass

  • 431.19440

smiles

  • O1[C@@H]([N+](CCOC(C2=CC=CC=C2)C3=CC=CC=C3)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C([O-])=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169870

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