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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-
RN: 135521-75-4
InChIKey: PFOYZSSVEDRDSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H13-Cl-N2-O3-S

Molecular Weight

  • 396.8527
 
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Names and Synonyms

Synonym

  • BRN 4277079

Systematic Name

  • 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-9-chloro-

Registry Numbers

CAS Registry Number

  • 135521-75-4

System Generated Number

  • 0135521754

Structure Descriptors

InChI

1S/C20H13ClN2O3S/c21-11-2-4-17-12(6-11)19-14(8-27-17)18(13(7-22)20(23)26-19)10-1-3-15-16(5-10)25-9-24-15/h1-6,18H,8-9,23H2

InChIKey

PFOYZSSVEDRDSJ-UHFFFAOYSA-N

Smiles

c1cc2c(cc1C3C4=C(c5cc(ccc5SC4)Cl)OC(=C3C#N)N)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 253mg/kg (253mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.