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Substance Name: Ro 41-0960
RN: 125628-97-9
InChIKey: RQPAUNZYTYHKHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-F-N-O5

Molecular Weight

  • 277.206
 
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Names and Synonyms

Name of Substance

  • Ro 41-0960

Synonyms

  • (3,4-Dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
  • OR 1139
  • Ro 41-0960

Systematic Name

  • Methanone, (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 125628-97-9

System Generated Number

  • 0125628979

Structure Descriptors

InChI

1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H

InChIKey

RQPAUNZYTYHKHA-UHFFFAOYSA-N

Smiles

C(=O)(c1c(cccc1)F)c1cc(c(c(c1)[N+](=O)[O-])O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 136mg/kg (136mg/kg)   Pharmacology and Toxicology Vol. 69, Pg. 64, 1991.
mouse LDLo oral 312mg/kg (312mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.