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Substance Name: Amitriptyline N-glucuronide
RN: 112806-33-4
InChIKey: WXMXRAPAGYPAJI-ARXROMJUSA-N

Molecular Formula

  • C26-H31-N-O6

Molecular Weight

  • 453.5319
 
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Names and Synonyms

Name of Substance

  • Amitriptyline N-glucuronide

Synonyms

  • Amitriptyline-N-glucuronide
  • AT-N-Gluc

Systematic Name

  • 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 112806-33-4

System Generated Number

  • 0112806334

Structure Descriptors

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

Smiles

C[N+](C)(CCC=C1c2ccccc2CCc3ccccc13)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-]