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Substance Name: 5H-(1)Benzothiopyrano(4,3-b)pyridine-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-2-methoxy-
RN: 115091-87-7
InChIKey: SCYMLHAVXFWPRU-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

  • 4-(3,4-Dimethoxyphenyl)-2-methoxy-5H-(1)benzothiopyrano(4,3-b)pyridine-3-carbonitrile
  • BRN 4275445

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115091-87-7

System Generated Number

  • 0115091877

Structure Descriptors

InChI

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

InChIKey

SCYMLHAVXFWPRU-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)c2c3c(nc(c2C#N)OC)-c4ccccc4SC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 243mg/kg (243mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.