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n-Butylsarin

Be careful there is an homonyme CID: 129849445 in Pub Chem (the n-butyl replaces the Fluor)

General

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

Chemical_Nomenclature : 1-[fluoro(methyl)phosphoryl]oxybutane

Canonical SMILES : CCCCOP(=O)(C)F

InChI : InChI=1S\/C5H12FO2P\/c1-3-4-5-8-9(2,6)7\/h3-5H2,1-2H3

InChIKey : DPBYNDKWLKHTAK-UHFFFAOYSA-N

Other name(s) : Butyl methylphosphonofluoridate,Phosphonofluoridic acid, methyl-, butyl ester,N-Butyl methylphosphonofluoridate,AC1LAUMM,CTK1C5231,n-butylmethylphosphonofluoridate

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MW : 154.12

Formula : C5H12FO2P

CAS_number : 352-63-6

PubChem : 520724

UniChem : DPBYNDKWLKHTAK-UHFFFAOYSA-N

Target

Families : n-Butylsarin ligand of proteins in family
ACHE BCHE

References (2)

1. Efficacy of the rePON1 mutant IIG1 to prevent cyclosarin toxicity in vivo and to detoxify structurally different nerve agents in vitro

Title : Efficacy of the rePON1 mutant IIG1 to prevent cyclosarin toxicity in vivo and to detoxify structurally different nerve agents in vitro - Worek_2014_Arch.Toxicol_88_1257

Author(s) : Worek F , Seeger T , Goldsmith M , Ashani Y , Leader H , Sussman JL , Tawfik DS , Thiermann H , Wille T

Ref : Archives of Toxicology , 88 :1257 , 2014

Abstract : Worek_2014_Arch.Toxicol_88_1257

ESTHER : Worek_2014_Arch.Toxicol_88_1257

PubMedSearch : Worek_2014_Arch.Toxicol_88_1257

PubMedID: 24477626

2. Enzyme-kinetic investigation of different sarin analogues reacting with human acetylcholinesterase and butyrylcholinesterase

Title : Enzyme-kinetic investigation of different sarin analogues reacting with human acetylcholinesterase and butyrylcholinesterase - Bartling_2007_Toxicology_233_166

Author(s) : Bartling A , Worek F , Szinicz L , Thiermann H

Ref : Toxicology , 233 :166 , 2007

Abstract : Bartling_2007_Toxicology_233_166

ESTHER : Bartling_2007_Toxicology_233_166

PubMedSearch : Bartling_2007_Toxicology_233_166

PubMedID: 16904809

Array
(
    [id] => 5598
    [inhibitor] => n-Butylsarin
    [type] => Array
        (
            [0] => Chemical Warfare Agent
            [1] => Organophosphate
            [2] => Nerve Agent G-series
            [3] => Derivative of Sarin
        )

    [other_name] => Array
        (
            [0] => Butyl methylphosphonofluoridate
            [1] => Phosphonofluoridic acid, methyl-, butyl ester
            [2] => N-Butyl methylphosphonofluoridate
            [3] => AC1LAUMM
            [4] => CTK1C5231
            [5] => n-butylmethylphosphonofluoridate
        )

    [chemical_nomenclature] => 1-[fluoro(methyl)phosphoryl]oxybutane
    [formula] => C5H12FO2P
    [cas_number] => 352-63-6
    [mw] => 154.12
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Bartling_2007_Toxicology_233_166 || Worek_2014_Arch.Toxicol_88_1257
    [comment] => Be careful there is an homonyme CID: 129849445 in Pub Chem (the n-butyl replaces the Fluor)
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 520724
    [family] => ACHE || BCHE
    [inchikey] => DPBYNDKWLKHTAK-UHFFFAOYSA-N
    [canonicalsmiles] => CCCCOP(=O)(C)F
    [inchi] => InChI=1S\/C5H12FO2P\/c1-3-4-5-8-9(2,6)7\/h3-5H2,1-2H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)