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Substance Name: Nitroflurbiprofen
RN: 158836-71-6
InChIKey: DLWSRGHNJVLJAH-UHFFFAOYSA-N

Note

  • A cyclooxygenase inhibitor.

Molecular Formula

  • C19-H20-F-N-O5

Molecular Weight

  • 361.367
 
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Names and Synonyms

Name of Substance

  • Nitroflurbiprofen

Synonyms

  • 4-(Nitrooxy)butyl 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetate
  • Flurbinitroxybutylester
  • Nitroxybutyl flurbiprofen

Systematic Name

  • (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, 4-(nitrooxy)butyl ester

Registry Numbers

CAS Registry Number

  • 158836-71-6

System Generated Number

  • 0158836716

Structure Descriptors

InChI

1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3

InChIKey

DLWSRGHNJVLJAH-UHFFFAOYSA-N

Smiles

c1c(c2ccccc2)c(cc([C@@H](C(OCCCCO[N+]([O-])=O)=O)C)c1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 162mg/kg (162mg/kg)   Drugs of the Future. Vol. 24, Pg. 858, 1999.
rat LD50 oral 341mg/kg (341mg/kg)   Drugs of the Future. Vol. 24, Pg. 858, 1999.