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402-40-4

402-40-4 Structure

402-40-4 Structure
IdentificationBack Directory
[Name]

1,5-BIS(4-ALLYLDIMETHYL-AMMONIUMPHENYL)PENTAN-3-ONE DIBROMIDE
[CAS]

402-40-4
[Synonyms]

BW-284
BW 284C51
ANTICHOLINESTERASE
1,5-bis(4-allyldimethylammoniumphenyl)*pentan-3-O
1,5-BIS(4-ALLYLDIMETHYLAMMONIUMPHENYL)PE NTAN-3-ONE
1,5-bis(4-allyldimethylammoniumphenyl)pentan-3-one bromide
1,5-BIS(4-ALLYLDIMETHYL-AMMONIUMPHENYL)PENTAN-3-ONE DIBROMIDE
1,5-BIS-(4-ALLYLDIMETHYLAMMONIUMPHENYL)-PENTANE-3-ONE DIBROMIDE
Carbonylbis[ethylene(4,1-phenylene)]bis(allyldimethylaminium)·dibromide
N,N'-(3-Oxopentane-1,5-diylbis-p-phenylene)bis(allyldimethylaminium)·dibromide
4,4'-(3-Oxo-1,5-pentanediyl)bis[N,N-diMethyl-N-2-propen-1-yl-benzenaMiniuM BroMide
Benzenaminium, 4,4-(3-oxo-1,5-pentanediyl)bisN,N-dimethyl-N-2-propenyl-, dibromide
allyl-[4-[5-[4-[allyl(dimethyl)ammonio]phenyl]-3-keto-pentyl]phenyl]-dimethyl-ammonium dibromide
[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium dibromide
[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxo-pentyl]phenyl]-dimethyl-prop-2-enyl-azanium dibromide
[Molecular Formula]

C27H38Br2N2O
[MDL Number]

MFCD00063485
[MOL File]

402-40-4.mol
[Molecular Weight]

566.41
Chemical PropertiesBack Directory
[Appearance]

Off-White Powder
[Melting point ]

194-196°C
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly, Sonicated), Methanol (Slightly), Water
[form ]

Solid
[color ]

Off-White to Brown
[Water Solubility ]

water: 19.60-20.40mg/mL, clear, colorless
[Stability:]

Stable
[InChI]

1S/C27H38N2O.BrH/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2;/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3;1H
[InChIKey]

XBXRQUYORADPMX-UHFFFAOYSA-N
[SMILES]

Br.C[N](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N](C)(C)CC=C)cc1
[EPA Substance Registry System]

4,4'-(3-Oxo-1,5-pentanediyl)bis[N,N-dimethyl-N-2-propenylbenzenaminium] dibromide (402-40-4)
Hazard InformationBack Directory
[Chemical Properties]

Off-White Powder
[Uses]

A selective acetylcholinesterase inhibitor
[Biochem/physiol Actions]

Selective acetylcholinesterase inhibitor.
Safety DataBack Directory
[Hazard Codes ]

T+,Xi
[Risk Statements ]

26/27/28
[Safety Statements ]

28-36/37/39-45
[RIDADR ]

UN 2811 6.1/PG 1
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1(a)
[PackingGroup ]

I
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Oral
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