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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide
RN: 135521-76-5
InChIKey: RRWXRQGUWDNKAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N2-O4-S

Molecular Weight

  • 380.4224
 
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Names and Synonyms

Synonyms

  • 1-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile-6-sulfone
  • BRN 4274480

Systematic Name

  • 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide

Registry Numbers

CAS Registry Number

  • 135521-76-5

System Generated Number

  • 0135521765

Structure Descriptors

InChI

1S/C20H16N2O4S/c23-14-4-1-12(2-5-14)13-3-6-15-17(9-13)21-22-18-10-26-19-7-8-27(24,25)11-16(19)20(15)18/h1-10,19,21-23H,11H2

InChIKey

RRWXRQGUWDNKAQ-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2ccc3c(c2)NNC4=COC5C=CS(=O)(=O)CC5=C34)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.