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Substance Name: 1-Thiocoumarin, 4-amino-3-nitro-
RN: 59647-28-8
InChIKey: FKPWQUSJEKXGMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-N2-O3-S

Molecular Weight

  • 222.2234
 
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Names and Synonyms

Synonyms

  • 4-Amino-3-nitro-1-thiocoumarin
  • 5-18-11-00429 (Beilstein Handbook Reference)
  • BRN 1684487

Systematic Name

  • 1-Thiocoumarin, 4-amino-3-nitro-

Registry Numbers

CAS Registry Number

  • 59647-28-8

System Generated Number

  • 0059647288

Structure Descriptors

InChI

1S/C9H6N2O3S/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H,10H2

InChIKey

FKPWQUSJEKXGMN-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c(c(=O)s2)[N+](=O)[O-])N

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.