ChemicalBook--->CAS DataBase List--->459424-38-5

459424-38-5

459424-38-5 Structure

459424-38-5 Structure
IdentificationBack Directory
[Name]

FLUOROCHOLINE
[CAS]

459424-38-5
[Synonyms]

FCH
FCH CHLORIDE
FLUOROCHOLINE
FLUOROCHLOLINE
FLUOROCHOLINE CHLORIDE
FLUOROMETHYLCHOLINE CHLORIDE
N,N-DIMETHYL-N-(FLUOROMETHYL) ETHANOLAMMONIUM CHLORIDE
DIMETHYL(FLUOROMETHYL)(2-HYDROXYETHYL)AMMONIUM CHLORIDE
ETHANAMINIUM, N-(FLUOROMETHYL)-2-HYDROXY-N,N-DIMETHYL-, CHLORIDE
Dimethyl(fluoromethyl)(2-hydroxyethyl)ammonium chloride, N,N-Dimethyl-N-(fluoromethyl)-2-hydroxyethanaminium chloride
[Molecular Formula]

C5H13ClFNO
[MDL Number]

MFCD07995053
[MOL File]

459424-38-5.mol
[Molecular Weight]

157.61
Chemical PropertiesBack Directory
[Appearance]

Colourless crystals, very sensitive to moisture (hygroscopic)
[Melting point ]

184-185
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

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

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1
[InChIKey]

QJEHIIJVWXGJAB-UHFFFAOYSA-M
[SMILES]

C(CO)[N+](C)(CF)C.[Cl-]
[CAS DataBase Reference]

459424-38-5
Hazard InformationBack Directory
[Chemical Properties]

Colourless crystals, very sensitive to moisture (hygroscopic)
[Uses]

Fluorocholine (chloride) is a biochemical reagent that can be used as a biological material or organic compound for life science related research[1].
[Biological Activity]

FMC is a monofluorinated choline th at acts as a nonlethalmechanism-based irreversible inhibtor (pseudosubstrate-based suicide inhibitor) against gut anaerobic bacterial glycyl radical enzyme (GRE) cutC choline trimethylamine (TMA) lyase-catalyzed TMA production from choline (IC50 = 0.9 nM/P. mirabilis & 1.4 nM/D. alaskensis rec. CutC/D) without affecting the bacterial growth (P. mirabilisE. fergusoniiand P. penneri). A single FMC oral dose (100 mg/kg) to mice on choline-supplemented diet significantly reduces plasma trimethylamine N-oxide (TMAO) level (up to 3 days) as well as diet-induced platelet responsiveness and thrombus formation without toxicity or increased bleeding risk.
[References]

[1] Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2922290090
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