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NCMP

General

Type : Chemical Warfare Agent,Organophosphate,Nerve Agent G-series,Derivative of Sarin,pNP

Chemical_Nomenclature : 1-[cyclohexyloxy(methyl)phosphoryl]oxy-4-nitrobenzene

Canonical SMILES : CP(=O)(OC1CCCCC1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI : InChI=1S\/C13H18NO5P\/c1-20(17,18-12-5-3-2-4-6-12)19-13-9-7-11(8-10-13)14(15)16\/h7-10,12H,2-6H2,1H3

InChIKey : JWRUJPIMPZQGPZ-UHFFFAOYSA-N

Other name(s) : CTK2H2050,DTXSID90825188,Cyclohexyl 4-nitrophenyl methylphosphonate,Phosphonic acid, methyl-, cyclohexyl 4-nitrophenyl ester

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MW : 299.26

Formula : C13H18NO5P

CAS_number : 7284-56-2

PubChem : 71404336

UniChem : JWRUJPIMPZQGPZ-UHFFFAOYSA-N

Target

Families : NCMP ligand of proteins in family
ACHE

References (1)

1. Comparison of inhibition kinetics of several organophosphates, including some nerve agent surrogates, using human erythrocyte and rat and mouse brain acetylcholinesterase

Title : Comparison of inhibition kinetics of several organophosphates, including some nerve agent surrogates, using human erythrocyte and rat and mouse brain acetylcholinesterase - Coban_2016_Toxicol.Lett_248_39

Author(s) : Coban A , Carr RL , Chambers HW , Willeford KO , Chambers JE

Ref : Toxicol Lett , 248 :39 , 2016

Abstract : Coban_2016_Toxicol.Lett_248_39

ESTHER : Coban_2016_Toxicol.Lett_248_39

PubMedSearch : Coban_2016_Toxicol.Lett_248_39

PubMedID: 26965078

Array
(
    [id] => 2073
    [inhibitor] => NCMP
    [type] => Array
        (
            [0] => Chemical Warfare Agent
            [1] => Organophosphate
            [2] => Nerve Agent G-series
            [3] => Derivative of Sarin
            [4] => pNP
        )

    [other_name] => Array
        (
            [0] => CTK2H2050
            [1] => DTXSID90825188
            [2] => Cyclohexyl 4-nitrophenyl methylphosphonate
            [3] => Phosphonic acid, methyl-, cyclohexyl 4-nitrophenyl ester
        )

    [chemical_nomenclature] => 1-[cyclohexyloxy(methyl)phosphoryl]oxy-4-nitrobenzene
    [formula] => C13H18NO5P
    [cas_number] => 7284-56-2
    [mw] => 299.26
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Coban_2016_Toxicol.Lett_248_39
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 71404336
    [family] => ACHE
    [inchikey] => JWRUJPIMPZQGPZ-UHFFFAOYSA-N
    [canonicalsmiles] => CP(=O)(OC1CCCCC1)OC2=CC=C(C=C2)[N+](=O)[O-]
    [inchi] => InChI=1S\/C13H18NO5P\/c1-20(17,18-12-5-3-2-4-6-12)19-13-9-7-11(8-10-13)14(15)16\/h7-10,12H,2-6H2,1H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)