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Substance Name: Sertraline carbamoyl-O-glucuronide
RN: 119733-44-7
UNII: 42M7V4CERF
InChIKey: IFPBIAXQORQOIY-BQOQXNJCSA-N

Note

  • Metabolite of sertraline.

Molecular Formula

  • C24-H25-Cl2-N-O8

Molecular Weight

  • 526.3665
 
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Names and Synonyms

Name of Substance

  • Sertraline carbamoyl-O-glucuronide

Synonyms

  • SCAEG
  • Sertraline carbamic acid ester glucuronide
  • UNII-42M7V4CERF

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-((4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)methylcarbamate), (1S-cis)-

Registry Numbers

CAS Registry Number

  • 119733-44-7

FDA UNII

  • 42M7V4CERF

System Generated Number

  • 0119733447

Structure Descriptors

InChI

1S/C24H25Cl2NO8/c1-27(24(33)35-23-20(30)18(28)19(29)21(34-23)22(31)32)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(25)16(26)10-11/h2-6,8,10,12,17-21,23,28-30H,7,9H2,1H3,(H,31,32)/t12-,17-,18-,19-,20+,21-,23-/m0/s1

InChIKey

IFPBIAXQORQOIY-BQOQXNJCSA-N

Smiles

CN([C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O