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Substance Name: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-4-(3,4-dimethoxyphenyl)-2-methoxy-
RN: 135521-79-8
InChIKey: LWERPPCFCWSRBF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H17-Cl-N2-O3-S

Molecular Weight

  • 424.9063
 
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Names and Synonyms

Synonym

  • BRN 4277017

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135521-79-8

System Generated Number

  • 0135521798

Structure Descriptors

InChI

1S/C22H17ClN2O3S/c1-26-17-6-4-12(8-18(17)27-2)20-15(10-24)22(28-3)25-21-14-9-13(23)5-7-19(14)29-11-16(20)21/h4-9H,11H2,1-3H3

InChIKey

LWERPPCFCWSRBF-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)c2c3c(nc(c2C#N)OC)-c4cc(ccc4SC3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.