Chemical Component Summary

NameDIETHYL 4-METHYLBENZYLPHOSPHONATE
Identifiers1-(diethoxyphosphorylmethyl)-4-methyl-benzene
FormulaC12 H19 O3 P
Molecular Weight242.251
TypeNON-POLYMER
Isomeric SMILESCCOP(=O)(Cc1ccc(cc1)C)OCC
InChIInChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyQKGBKPZAXXBLJE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02138 
NameDiethyl 4-Methylbenzylphosphonate
Groups experimental
SynonymsDiethyl 4-Methylbenzylphosphonate
CategoriesOrganophosphorus Compounds
CAS number3762-25-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Parathion hydrolaseMQTRRVVLKSAAAAGTLLGGLAGCASVAGSIGTGDRINTVRGPITISEAG...unknown
Parathion hydrolaseMQTRRVVLKSAAAAGTLLGGLAGCASVAGSIGTGDRINTVRGPITISEAG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 3050