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Substance Name: 1-Propanamine, N,N-dimethyl-3-((2-(4-methylphenyl)-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-
RN: 97146-17-3
InChIKey: ISPBQSUEQIRJAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N3-O-S

Molecular Weight

  • 391.5365
 
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Names and Synonyms

Synonym

  • 4-(3-Dimethylaminopropylthio)-2-(4-methylphenyl)-5H(1)benzopyrano(2,3-d)pyrimidine

Systematic Name

  • 1-Propanamine, N,N-dimethyl-3-((2-(4-methylphenyl)-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-

Registry Numbers

CAS Registry Number

  • 97146-17-3

System Generated Number

  • 0097146173

Structure Descriptors

InChI

1S/C23H25N3OS/c1-16-9-11-17(12-10-16)21-24-22-19(15-18-7-4-5-8-20(18)27-22)23(25-21)28-14-6-13-26(2)3/h4-5,7-12H,6,13-15H2,1-3H3

InChIKey

ISPBQSUEQIRJAG-UHFFFAOYSA-N

Smiles

c12c(c(nc(n1)c1ccc(cc1)C)SCCCN(C)C)Cc1c(O2)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   United States Patent Document. Vol. #4578380,