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Substance Name: Phosphonic acid, (5-(3-fluorobenzoyl)-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester
RN: 132508-17-9
InChIKey: UIBAAMPWVKMRCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-F-N2-O7-P2

Molecular Weight

  • 464.3643
 
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Names and Synonyms

Synonyms

  • Tetraethyl (5-(3-fluorobenzoyl)-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate
  • U-84849

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132508-17-9

System Generated Number

  • 0132508179

Structure Descriptors

InChI

1S/C18H27FN2O7P2/c1-5-25-29(23,26-6-2)18(30(24,27-7-3)28-8-4)13-16(20-21-18)17(22)14-10-9-11-15(19)12-14/h9-12,21H,5-8,13H2,1-4H3

InChIKey

UIBAAMPWVKMRCQ-UHFFFAOYSA-N

Smiles

CCOP(=O)(C1(CC(=NN1)C(=O)c2cccc(c2)F)P(=O)(OCC)OCC)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 1600mg/kg (1600mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 266, Pg. 1691, 1993.
rat LDLo subcutaneous 1600mg/kg (1600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 266, Pg. 1691, 1993.