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Substance Name: 1-Thiocoumarin, 4-benzylamino-3-nitro-
RN: 66285-04-9
InChIKey: CBIACJWRJQGSOI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-N2-O3-S

Molecular Weight

  • 312.3478
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzothiopyran-2-one, 3-nitro-4-((phenylmethyl)amino)-
  • 4-Benzylamino-3-nitro-1-thiocoumarin
  • 5-18-11-00429 (Beilstein Handbook Reference)
  • BRN 1656091

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66285-04-9

System Generated Number

  • 0066285049

Structure Descriptors

InChI

1S/C16H12N2O3S/c19-16-15(18(20)21)14(12-8-4-5-9-13(12)22-16)17-10-11-6-2-1-3-7-11/h1-9,17H,10H2

InChIKey

CBIACJWRJQGSOI-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNc2c3ccccc3sc(=O)c2[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Pharmaceutical Chemistry Journal Vol. 12, Pg. 1590, 1978.