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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-
RN: 115091-77-5
InChIKey: PNAGKMLBYLUBBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N2-O2-S

Molecular Weight

  • 348.4244
 
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Names and Synonyms

Synonyms

  • 2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
  • BRN 4271975

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115091-77-5

System Generated Number

  • 0115091775

Structure Descriptors

InChI

1S/C20H16N2O2S/c1-23-13-8-6-12(7-9-13)18-15(10-21)20(22)24-19-14-4-2-3-5-17(14)25-11-16(18)19/h2-9,18H,11,22H2,1H3

InChIKey

PNAGKMLBYLUBBS-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C2C3=C(c4ccccc4SC3)OC(=C2C#N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 206mg/kg (206mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.