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Substance Name: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 9-chloro-4-(3-hydroxy-4-methoxyphenyl)-2-methoxy-
RN: 135521-78-7
InChIKey: GOOBOXWGIKOGEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-Cl-N2-O3-S

Molecular Weight

  • 410.8795
 
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Names and Synonyms

Synonym

  • BRN 4276560

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135521-78-7

System Generated Number

  • 0135521787

Structure Descriptors

InChI

1S/C21H15ClN2O3S/c1-26-17-5-3-11(7-16(17)25)19-14(9-23)21(27-2)24-20-13-8-12(22)4-6-18(13)28-10-15(19)20/h3-8,25H,10H2,1-2H3

InChIKey

GOOBOXWGIKOGEB-UHFFFAOYSA-N

Smiles

COc1ccc(cc1O)c2c3c(nc(c2C#N)OC)-c4cc(ccc4SC3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.