Chemical Compound

Amitriptyline N-glucuronide

CAS Registry Number 112806-33-4
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Amitriptyline N-glucuronide chemical structure
Primary Record

Amitriptyline N-glucuronide

In stock
2,937 g
Purity
98.3 %
CAS
112806-33-4

Compound Identifiers & Properties

CAS
112806-33-4
PubChem CID
62981
SMILES
C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O
Canonical SMILES
C[N+](C)(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O

Names & Synonyms

  • Amitriptyline N-glucuronide
  • AT-N-Gluc
  • Amitriptyline-N-glucuronide
  • RefChem:112105
  • AC1L1Y5M
  • Amitriptyline N-|A-D-Glucuronide
  • 112806-33-4
  • AC1Q228U
  • SCHEMBL31656378
  • Amitriptyline N-beta-D-Glucuronide
  • CID62981
  • C26-H31-N-O6
  • DA-61024
  • HY-137339
  • CS-0137926
  • (2S,3S,4S,5R,6R)-6-[dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
  • 1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, hydroxide, inner salt
  • (2s,3s,4s,5r,6r)-6-{[3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylate(non-preferred name)
  • 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-1-propanaminium Inner Salt