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Substance Name: 1H-Pyrrole-3-carbonitrile, 4,5-dihydro-2-((2-(diethylamino)ethyl)thio)-4-(4-(dimethylamino)phenyl)-5-oxo-4-(3-pyridinyl)-
RN: 88709-63-1
InChIKey: XNECAYZYJZMODN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N5-O-S

Molecular Weight

  • 435.5931
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 88709-63-1

System Generated Number

  • 0088709631

Structure Descriptors

InChI

1S/C24H29N5OS/c1-5-29(6-2)14-15-31-22-21(16-25)24(23(30)27-22,19-8-7-13-26-17-19)18-9-11-20(12-10-18)28(3)4/h7-13,17H,5-6,14-15H2,1-4H3,(H,27,30)

InChIKey

XNECAYZYJZMODN-UHFFFAOYSA-N

Smiles

C1(=C(NC(=O)C1(c1ccc(N(C)C)cc1)c1cnccc1)SCCN(CC)CC)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Patent Application. Vol. #91045,