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Substance Name: 1-Propanamine, N,N-dimethyl-3-((2-phenyl-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-
RN: 97146-02-6
InChIKey: SQBTUJSTIMBNRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N3-O-S

Molecular Weight

  • 377.5097
 
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Names and Synonyms

Synonyms

  • 4-(3-Dimethylaminopropylthio)-2-phenyl-5H-(1)benzopyrano(2,3-d)pyrimidine
  • N,N-Dimethyl-3-((2-phenyl-5H-(1)benzopyrano(2,3-d)pyrimidin-4-yl)thio)-1-propanamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97146-02-6

System Generated Number

  • 0097146026

Structure Descriptors

InChI

1S/C22H23N3OS/c1-25(2)13-8-14-27-22-18-15-17-11-6-7-12-19(17)26-21(18)23-20(24-22)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3

InChIKey

SQBTUJSTIMBNRG-UHFFFAOYSA-N

Smiles

c12c(c(nc(n1)c1ccccc1)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,