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Substance Name: Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester
RN: 132508-02-2
InChIKey: NPLHDPAQRZJWHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N2-O7-P2

Molecular Weight

  • 446.3742
 
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Names and Synonyms

Synonyms

  • Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate
  • U-81581

Systematic Name

  • Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester

Registry Numbers

CAS Registry Number

  • 132508-02-2

System Generated Number

  • 0132508022

Structure Descriptors

InChI

1S/C18H28N2O7P2/c1-5-24-28(22,25-6-2)18(29(23,26-7-3)27-8-4)14-16(19-20-18)17(21)15-12-10-9-11-13-15/h9-13,20H,5-8,14H2,1-4H3

InChIKey

NPLHDPAQRZJWHX-UHFFFAOYSA-N

Smiles

CCOP(=O)(C1(CC(=NN1)C(=O)c2ccccc2)P(=O)(OCC)OCC)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD subcutaneous > 2500mg/kg (2500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 266, Pg. 1691, 1993.
rat LDLo oral 2500mg/kg (2500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 266, Pg. 1691, 1993.