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Substance Name: 1-Thiocoumarin, 3-amino-4-benzylamino-
RN: 66285-08-3
InChIKey: KJEDMVFGPDAOMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-N2-O-S

Molecular Weight

  • 282.3656
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzothiopyran-2-one, 3-amino-4-((phenylmethyl)amino)-
  • 3-Amino-4-benzylamino-1-thiocoumarin
  • 5-18-11-00433 (Beilstein Handbook Reference)
  • BRN 1649116

Systematic Name

  • 1-Thiocoumarin, 3-amino-4-benzylamino-

Registry Numbers

CAS Registry Number

  • 66285-08-3

System Generated Number

  • 0066285083

Structure Descriptors

InChI

1S/C16H14N2OS/c17-14-15(18-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)20-16(14)19/h1-9,18H,10,17H2

InChIKey

KJEDMVFGPDAOMJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNc2c3ccccc3sc(=O)c2N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 1590, 1978.