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Substance Name: Coumarin, 4-butylamino-3-nitro-
RN: 50527-27-0
InChIKey: UMKVLFMFXZVPTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O4

Molecular Weight

  • 262.264
 
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Names and Synonyms

Synonyms

  • 4-Butylamino-3-nitrocoumarin
  • 5-18-11-00429 (Beilstein Handbook Reference)
  • BRN 1653711

Systematic Name

  • Coumarin, 4-butylamino-3-nitro-

Registry Numbers

CAS Registry Number

  • 50527-27-0

System Generated Number

  • 0050527270

Structure Descriptors

InChI

1S/C13H14N2O4/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

UMKVLFMFXZVPTH-UHFFFAOYSA-N

Smiles

c12c(c(c(=O)oc1cccc2)[N+](=O)[O-])NCCCC

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.