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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(2-methoxyphenyl)-
RN: 115091-76-4
InChIKey: NGWWAHBMAXMWOL-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-(2-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
  • BRN 4272492

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115091-76-4

System Generated Number

  • 0115091764

Structure Descriptors

InChI

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

InChIKey

NGWWAHBMAXMWOL-UHFFFAOYSA-N

Smiles

COc1ccccc1C2C3=C(c4ccccc4SC3)OC(=C2C#N)N

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.