Fluorocholine F-18

HCID 449673

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Basic information

CAS: 407582-13-2
Standard SMILES: C[N+](C)(C[18F])CCO
InChIKey: PBVFROWIWWGIFK-KWCOIAHCSA-N
Molecular formula: C5H13FNO+
Average molar mass: 121.16 g/mol
Monoisotopic mass: 121.100651

Overview

Fluoromethylcholine (18F) is a quaternary ammonium salt.

Names & identifiers

Preferred name: Fluorocholine F-18
IUPAC: (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium

Names & synonyms

Fluorocholine F-18Iasocholine18F-FCH(18F)-Choline475572-73-7UNII-700YTQ6F2B700YTQ6F2B(18F)FLUOROMETHYLCHOLINEFLUOROMETHYLCHOLINE F-18(18F)fluoranylmethyl-(2-hydroxyethyl)-dimethylazaniumFLUORINE F 18 FLUOROMETHYLCHOLINEFluorocholine (f18)

Show more names

[18F]-FluorocholineCHEMBL5314939SCHEMBL13020429DTXSID10197197CHEBI:136031FLUOROCHOLINE (F18) [WHO-DD]D11254Q27265805

Database identifiers

CAS: 407582-13-2、475572-73-7
PubChem CID: 449673
DTXSID: DTXSID10197197
ChEMBL: CHEMBL5314939
ChEBI: CHEBI:136031
UNII: 700YTQ6F2B
Nikkaji: J1.768.410H

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 1
Complexity: 65.4

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Compound notes

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