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Substance Name: 10-Hydroxyamitriptyline-N-glucuronide
RN: 130209-87-9
InChIKey: ROSNKPATLOVTEX-MMVWVLHHSA-N

Molecular Formula

  • C26-H31-N-O7

Molecular Weight

  • 469.5309
 
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Names and Synonyms

Name of Substance

  • 10-Hydroxyamitriptyline-N-glucuronide

Synonyms

  • (Z)-1-Deoxy-1-((3-(10,11-dihydro-10-hydroxy-5H-dibenzo(a,d)cyclohepten-5-ylidene)propyl)dimethylammonio)-beta-D-glucopyranuronic acid hydroxide, inner salt
  • 10-OH-AT-N-Gluc

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-deoxy-1-((3-(10,11-dihydro-10-hydroxy-5H-dibenzo(a,d)cyclohepten-5-ylidene)propyl)dimethylammonio)-, hydroxide, inner salt, (Z)-

Registry Numbers

CAS Registry Number

  • 130209-87-9

System Generated Number

  • 0130209879

Structure Descriptors

InChI

1S/C26H31NO7/c1-27(2,25-23(31)21(29)22(30)24(34-25)26(32)33)13-7-12-17-16-9-4-3-8-15(16)14-20(28)19-11-6-5-10-18(17)19/h3-6,8-12,20-25,28-31H,7,13-14H2,1-2H3/b17-12-/t20?,21-,22-,23+,24-,25+/m0/s1

InChIKey

ROSNKPATLOVTEX-MMVWVLHHSA-N

Smiles

C[N+](C)(CC\C=C/1\c2ccccc2CC(O)c3ccccc13)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-]