(18F)Fluortriopride

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Basic information

CAS: 1360444-40-1
Standard SMILES: O=C(NCCCCN1CCN(c2ccccc2OCC[18F])CC1)c1ccc(-c2ccsc2)cc1
InChIKey: TVWNOPFEOFGKFJ-GLOFJIOZSA-N
Molecular formula: C27H32FN3O2S
Average molar mass: 480.6 g/mol
Monoisotopic mass: 480.222461

Names & identifiers

Preferred name: (18F)Fluortriopride
IUPAC: N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-thiophen-3-yl(18F)benzamide

Names & synonyms

(18F)FluortrioprideFluortriopride F-1818F-FtpFtp F-1894W3VUC3ZF[18F]DRD3-51360444-40-1Benzamide, N-(4-(4-(2-(2-(fluoro-18F)ethoxy)phenyl)-1-piperazinyl)butyl)-4-(3-thienyl)-N-(4-(4-(2-(2-[18F]Fluoroethoxy)phenyl)piperazine-1-yl)butyl)-4-(3-thienyl)benzamide

Database identifiers

CAS: 1360444-40-1
PubChem CID: 53364429
UNII: 94W3VUC3ZF

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 73.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 596

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Compound notes

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