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Substance Name: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2-propoxy-
RN: 115091-93-5
InChIKey: VROYHATVMBVGDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H18-N2-O3-S

Molecular Weight

  • 402.4722
 
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Names and Synonyms

Synonyms

  • 4-(1,3-Benzodioxol-5-yl)-2-propoxy-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile
  • BRN 4276989

Systematic Name

  • 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(1,3-benzodioxol-5-yl)-2-propoxy-

Registry Numbers

CAS Registry Number

  • 115091-93-5

System Generated Number

  • 0115091935

Structure Descriptors

InChI

1S/C23H18N2O3S/c1-2-9-26-23-16(11-24)21(14-7-8-18-19(10-14)28-13-27-18)17-12-29-20-6-4-3-5-15(20)22(17)25-23/h3-8,10H,2,9,12-13H2,1H3

InChIKey

VROYHATVMBVGDA-UHFFFAOYSA-N

Smiles

CCCOc1c(c(c2c(n1)-c3ccccc3SC2)c4ccc5c(c4)OCO5)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 183mg/kg (183mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.