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Substance Name: 1H-Pyrrole-3-carbonitrile, 4,5-dihydro-4-(4-(dimethylamino)phenyl)-5-oxo-4-(3-pyridinyl)-2-((2-(1-pyrrolidinyl)ethyl)thio)-
RN: 88709-68-6
InChIKey: SWBZNTZNQHZYIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N5-O-S

Molecular Weight

  • 433.5773
 
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Names and Synonyms

  • 1H-Pyrrole-3-carbonitrile, 4,5-dihydro-4-(4-(dimethylamino)phenyl)-5-oxo-4-(3-pyridinyl)-2-((2-(1-pyrrolidinyl)ethyl)thio)-

Registry Numbers

CAS Registry Number

  • 88709-68-6

System Generated Number

  • 0088709686

Structure Descriptors

InChI

1S/C24H27N5OS/c1-28(2)20-9-7-18(8-10-20)24(19-6-5-11-26-17-19)21(16-25)22(27-23(24)30)31-15-14-29-12-3-4-13-29/h5-11,17H,3-4,12-15H2,1-2H3,(H,27,30)

InChIKey

SWBZNTZNQHZYIL-UHFFFAOYSA-N

Smiles

C1CCCN1CCSC1=C(C(C(=O)N1)(c1ccc(N(C)C)cc1)c1cnccc1)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   European Patent Application. Vol. #91045,