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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-phenyl-
RN: 135521-74-3
InChIKey: DRFXEYGEYDNGTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-Cl-N2-O-S

Molecular Weight

  • 352.8437
 
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Names and Synonyms

Synonyms

  • 2-Amino-9-chloro-4-phenyl-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
  • BRN 4268075

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135521-74-3

System Generated Number

  • 0135521743

Structure Descriptors

InChI

1S/C19H13ClN2OS/c20-12-6-7-16-13(8-12)18-15(10-24-16)17(11-4-2-1-3-5-11)14(9-21)19(22)23-18/h1-8,17H,10,22H2

InChIKey

DRFXEYGEYDNGTL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2C3=C(c4cc(ccc4SC3)Cl)OC(=C2C#N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 214mg/kg (214mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.