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Substance Name: 5H(1)-Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 2,9-dimethoxy-4-(4-methoxyphenyl)-
RN: 115091-89-9
InChIKey: KZAXREUOBPYVLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-N2-O3-S

Molecular Weight

  • 390.4612
 
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Names and Synonyms

Synonyms

  • 2,9-Dimethoxy-4-(4-methoxyphenyl)-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile
  • BRN 4274415

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115091-89-9

System Generated Number

  • 0115091899

Structure Descriptors

InChI

1S/C22H18N2O3S/c1-25-14-6-4-13(5-7-14)20-17(11-23)22(27-3)24-21-16-10-15(26-2)8-9-19(16)28-12-18(20)21/h4-10H,12H2,1-3H3

InChIKey

KZAXREUOBPYVLJ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)c2c3c(nc(c2C#N)OC)-c4cc(ccc4SC3)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 229mg/kg (229mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.