EBP

DIETHYL 4-METHYLBENZYLPHOSPHONATE

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count35
Aromatic Bond Count6
2D diagram of EBP

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameDIETHYL 4-METHYLBENZYLPHOSPHONATE
Systematic Name (OpenEye OEToolkits)1-(diethoxyphosphorylmethyl)-4-methyl-benzene
FormulaC12 H19 O3 P
Molecular Weight242.251
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC)(OCC)Cc1ccc(cc1)C
SMILESCACTVS3.341CCO[P](=O)(Cc1ccc(C)cc1)OCC
SMILESOpenEye OEToolkits1.5.0CCOP(=O)(Cc1ccc(cc1)C)OCC
Canonical SMILESCACTVS3.341 CCO[P](=O)(Cc1ccc(C)cc1)OCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCOP(=O)(Cc1ccc(cc1)C)OCC
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 QKGBKPZAXXBLJE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02138 
NameDiethyl 4-Methylbenzylphosphonate
Groups experimental
SynonymsDiethyl 4-Methylbenzylphosphonate
CategoriesOrganophosphorus Compounds
CAS number3762-25-2

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
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