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Substance Name: Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-
RN: 51685-34-8
InChIKey: GIOHJKNNGCQEIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N3-O4

Molecular Weight

  • 351.36
 
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Names and Synonyms

Synonyms

  • 3-Nitro-4-(4-phenyl-1-piperazinyl)coumarin
  • 5-23-02-00494 (Beilstein Handbook Reference)
  • BRN 0900648

Systematic Name

  • Coumarin, 3-nitro-4-(4-phenyl-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 51685-34-8

System Generated Number

  • 0051685348

Structure Descriptors

InChI

1S/C19H17N3O4/c23-19-18(22(24)25)17(15-8-4-5-9-16(15)26-19)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2

InChIKey

GIOHJKNNGCQEIU-UHFFFAOYSA-N

Smiles

c1(c2c(oc(c1[N+](=O)[O-])=O)cccc2)N1CCN(c2ccccc2)CC1

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.