Diphenhydramine N-Beta-D-Glucuronide

Diphenhydramine N-Beta-D-Glucuronide

• Synonyms: Ethanaminium, 2-(diphenylmethoxy)-N-β-D-glucopyranuronosyl-N,N-dimethyl-, inner salt; Diphenhydramine N-glucuronide; Diphenhydramine N-β-D-Glucuronide
• CAS Number: 137908-78-2
• Hazard Statement: Not a hazardous substance according to GHS.
• Smiles: C[N+](C)(CCOC(c1ccccc1)c2ccccc2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]
• Molecular Formula: C23 H29 N O7
• Molecular Weight: 431.48
• 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
• Additionnal Information: IUPAC name: (2S,3S,4S,5R,6R)-6-[2-benzhydryloxyethyl(dimethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C