AT-N-Gluc

Molecular Formula: C26H31NO6


InChI: InChI=1/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: InChIKey=WXMXRAPAGYPAJI-ARXROMJUBQ
SMILES: C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)C4C(C(C(C(O4)C(=O)[O-])O)O)O

Names:
    Amitriptyline N-glucuronide
    Amitriptyline-N-glucuronide
    AT-N-Gluc
    1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, hydroxide, inner salt
    112806-33-4

Registries:
    PubChem CID 62981
    PubChem ID 205169