Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(2-methoxyphenyl)-
RN: 115091-91-3
InChIKey: DJEGVKQKRUHCKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-Cl-N2-O2-S

Molecular Weight

  • 394.8805
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 9-Chloro-2-methoxy-4-(2-methoxyphenyl)-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile
  • BRN 4274818

Systematic Name

  • 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-2-methoxy-4-(2-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 115091-91-3

System Generated Number

  • 0115091913

Structure Descriptors

InChI

1S/C21H15ClN2O2S/c1-25-17-6-4-3-5-13(17)19-15(10-23)21(26-2)24-20-14-9-12(22)7-8-18(14)27-11-16(19)20/h3-9H,11H2,1-2H3

InChIKey

DJEGVKQKRUHCKN-UHFFFAOYSA-N

Smiles

COc1ccccc1c2c3c(nc(c2C#N)OC)-c4cc(ccc4SC3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 241mg/kg (241mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.