3-(10,11-Dihydro-5H-Dibenzo(a,d)Cyclohepten-5-Ylidene)-N-beta-D-Glucopyranuronosyl-N,N-Dimethyl-1-Propanaminium Hydroxide Inner Salt
[CAS# 112806-33-4]

Identification

• Name: 3-(10,11-Dihydro-5H-Dibenzo(a,d)Cyclohepten-5-Ylidene)-N-beta-D-Glucopyranuronosyl-N,N-Dimethyl-1-Propanaminium Hydroxide Inner Salt
• Synonyms: At-N-Gluc; Amitriptyline N-Glucuronide; Amitriptyline-N-Glucuronide
• Molecular Formula: C₂₆H₃₁NO₆
• Molecular Weight: 453.53
• CAS Registry Number: 112806-33-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)[N+](CCC=C2C4=C(CCC3=C2C=CC=C3)C=CC=C4)(C)C
• InChI: 1S/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1
• InChIKey: WXMXRAPAGYPAJI-ARXROMJUSA-N