(18F)Smbt-1

HCID 160187828

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Basic information

CAS: 2410554-09-3
Standard SMILES: Cc1ccc(-c2ccc3cc(OC[C@H](O)C[18F])ccc3n2)cn1
InChIKey: FBXCMFBJUZVBJS-ZTBCQRABSA-N
Molecular formula: C18H17FN2O2
Average molar mass: 311.3 g/mol
Monoisotopic mass: 311.12994

Names & identifiers

Preferred name: (18F)Smbt-1
IUPAC: (2S)-1-(18F)fluoro-3-[2-(6-methyl-3-pyridinyl)quinolin-6-yl]oxypropan-2-ol

Names & synonyms

(18F)Smbt-1U2Z9D55F8ESMBT-1 F-18UNII-U2Z9D55F8ECHEMBL5181783(S)-6-((3-(F18)Fluoro-2-hydroxy)propoxy)-2-(2-methylpyrid-5-yl)-quinoline2-Propanol, 1-(fluoro-18-F)-3-((2-(6-methyl-3-pyridinyl)-6-quinolinyl)oxy)-, (2S)-2410554-09-3BDBM50601856

Database identifiers

CAS: 2410554-09-3
PubChem CID: 160187828
ChEMBL: CHEMBL5181783
UNII: U2Z9D55F8E
Nikkaji: J3.760.625A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 371

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