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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-hydroxy-3-methoxyphenyl)-
RN: 135521-72-1
InChIKey: LTIGMBFYGGOWEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N2-O3-S

Molecular Weight

  • 421.4949
 
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Names and Synonyms

Synonyms

  • 2-Amino-4-(4-hydroxy-3-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
  • BRN 4274030

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135521-72-1

System Generated Number

  • 0135521721

Structure Descriptors

InChI

1S/C23H21N2O4S/c1-27-20-11-16(7-8-19(20)26)22-17(12-24)23(25)29(21-9-10-28-13-18(21)22)30-14-15-5-3-2-4-6-15/h2-11,22,26H,13-14,25H2,1H3

InChIKey

LTIGMBFYGGOWEL-UHFFFAOYSA-N

Smiles

COc1cc(ccc1O)C2C3=C(C=COC3)O(C(=C2C#N)N)SCc4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 239mg/kg (239mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.