DEP

DIETHYL PHOSPHONATE

Created:	1999-07-08
Last modified:	2024-09-27

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3 entries where DEP is found as a standalone ligand28 entries where DEP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

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Chemical Component Summary
Name	DIETHYL PHOSPHONATE
Systematic Name (OpenEye OEToolkits)	1-ethoxyphosphonoyloxyethane
Formula	C₄ H₁₁ O₃ P
Molecular Weight	138.102
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OCC)OCC
SMILES	CACTVS	3.341	CCO[PH](=O)OCC
SMILES	OpenEye OEToolkits	1.5.0	CCOP(=O)OCC
Canonical SMILES	CACTVS	3.341	CCO[PH](=O)OCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOP(=O)OCC
InChI	InChI	1.03	InChI=1S/C4H11O3P/c1-3-6-8(5)7-4-2/h8H,3-4H2,1-2H3
InChIKey	InChI	1.03	MJUJXFBTEFXVKU-UHFFFAOYSA-N

Drug Info: DrugBank

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

DrugBank ID	DB02811
Name	Diethyl phosphonate
Groups	experimental
Synonyms	Diethyl hydrogen phosphite Phosphonic acid diethyl ester Diethyl acid phosphite Diethyl phosphite O,O-Diethyl phosphonate Phosphorous acid, diethyl ester Diethyl phosphonate Hydrogen diethyl phosphite
Categories	Cholinesterase Inhibitors
CAS number	762-04-9

Drug Targets

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

Name	Target Sequence	Pharmacological Action	Actions
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	inhibitor
Diacylglycerol acyltransferase/mycolyltransferase Ag85C	MTFFEQVRRLRSAATTLPRRLAIAAMGAVLVYGLVGTFGGPATAGAFSRP...	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