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Substance Name: 1H-Pyrrole-3-carbonitrile, 4,5-dihydro-4-(4-(dimethylamino)phenyl)-2-(methylthio)-5-oxo-4-(3-pyridinyl)-
RN: 88709-72-2
InChIKey: FMPKVQVDCOMGHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N4-O-S

Molecular Weight

  • 350.4442
 
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Names and Synonyms

Synonyms

  • 4-(4-Dimethylaminophenyl)-2-methylthio-5-oxo-4-(3-pyridyl)-2-pyrrolin-3-carbonitril
  • 4-(4-Dimethylaminophenyl)-2-methylthio-5-oxo-4-(3-pyridyl)-2-pyrrolin-3-carbonitril [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 88709-72-2

System Generated Number

  • 0088709722

Structure Descriptors

InChI

1S/C19H18N4OS/c1-23(2)15-8-6-13(7-9-15)19(14-5-4-10-21-12-14)16(11-20)17(25-3)22-18(19)24/h4-10,12H,1-3H3,(H,22,24)

InChIKey

FMPKVQVDCOMGHS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   European Patent Application. Vol. #0091045,