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Substance Name: Cgp 13231
RN: 113962-61-1
InChIKey: JSGITMPYGNUQPT-UHFFFAOYSA-N

Note

  • N-oxide metabolite of CGP 6140.

Molecular Formula

  • C18-H21-N5-O3-S

Molecular Weight

  • 387.4619
 
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Names and Synonyms

Name of Substance

  • Cgp 13231

Synonym

  • Cgp-13231

Systematic Name

  • 1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide

Registry Numbers

CAS Registry Number

  • 113962-61-1

System Generated Number

  • 0113962611

Structure Descriptors

InChI

1S/C18H21N5O3S/c1-23(26)12-10-21(11-13-23)18(27)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)22(24)25/h2-9,19H,10-13H2,1H3,(H,20,27)

InChIKey

JSGITMPYGNUQPT-UHFFFAOYSA-N

Smiles

C[N+]1(CCN(CC1)C(=S)Nc2ccc(cc2)Nc3ccc(cc3)[N+](=O)[O-])[O-]