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Substance Name: Coumarin, 4-benzylamino-3-nitro-
RN: 50527-29-2
InChIKey: DLBIJZSVHCCMOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-N2-O4

Molecular Weight

  • 296.281
 
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Names and Synonyms

Synonyms

  • 4-Benzylamino-3-nitrocoumarin
  • 5-18-11-00429 (Beilstein Handbook Reference)
  • BRN 1656090

Systematic Name

  • Coumarin, 4-benzylamino-3-nitro-

Registry Numbers

CAS Registry Number

  • 50527-29-2

System Generated Number

  • 0050527292

Structure Descriptors

InChI

1S/C16H12N2O4/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

DLBIJZSVHCCMOX-UHFFFAOYSA-N

Smiles

c12c(c(c(=O)oc1cccc2)[N+](=O)[O-])NCc1ccccc1

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.