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Substance Name: 1-Thiocoumarin, 4-butylamino-3-nitro-
RN: 59647-29-9
InChIKey: UPNQLLFJPFVYHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O3-S

Molecular Weight

  • 278.3306
 
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Names and Synonyms

Synonyms

  • 4-Butylamino-3-nitro-1-thiocoumarin
  • 5-18-11-00429 (Beilstein Handbook Reference)
  • BRN 1653713

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59647-29-9

System Generated Number

  • 0059647299

Structure Descriptors

InChI

1S/C13H14N2O3S/c1-2-3-8-14-11-9-6-4-5-7-10(9)19-13(16)12(11)15(17)18/h4-7,14H,2-3,8H2,1H3

InChIKey

UPNQLLFJPFVYHB-UHFFFAOYSA-N

Smiles

CCCCNc1c2ccccc2sc(=O)c1[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.