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Substance Name: Phosphonic acid, butyl-, butyl p-nitrophenyl ester
RN: 71002-68-1
InChIKey: PCXYZTFOYPFJFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N-O5-P

Molecular Weight

  • 315.3038
 
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Names and Synonyms

Synonyms

  • Butyl para-nitrophenyl ester of butylphosphonic acid
  • Butylphosphonic acid butyl p-nitrophenyl ester

Systematic Name

  • Phosphonic acid, butyl-, butyl p-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 71002-68-1

System Generated Number

  • 0071002681

Structure Descriptors

InChI

1S/C14H22NO5P/c1-3-5-11-19-21(18,12-6-4-2)20-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3

InChIKey

PCXYZTFOYPFJFD-UHFFFAOYSA-N

Smiles

CCCCOP(=O)(CCCC)Oc1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4900ug/kg (4.9mg/kg)   Russian Pharmacology and Toxicology Vol. 42, Pg. 106, 1979.
rat LD50 intravenous 4900ug/kg (4.9mg/kg) LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Farmakologiya i Toksikologiya Vol. 42, Pg. 299, 1979.