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Substance Name: 1-Thiocoumarin, 3-nitro-4-pyrrolidino-
RN: 69405-50-1
InChIKey: CHWJRSGPNCEBJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O3-S

Molecular Weight

  • 276.3148
 
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Names and Synonyms

Synonyms

  • 3-Nitro-4-pyrrolidino-1-thiocoumarin
  • 5-20-01-00470 (Beilstein Handbook Reference)
  • BRN 4734363

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 69405-50-1

System Generated Number

  • 0069405501

Structure Descriptors

InChI

1S/C13H12N2O3S/c16-13-12(15(17)18)11(14-7-3-4-8-14)9-5-1-2-6-10(9)19-13/h1-2,5-6H,3-4,7-8H2

InChIKey

CHWJRSGPNCEBJT-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c(c(=O)s2)[N+](=O)[O-])N3CCCC3

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.