norfenfluramine   Click here for help

GtoPdb Ligand ID: 215

Synonyms: (±)-norfenfluramine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 26.02
Molecular weight 203.09
XLogP 2.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1cccc(c1)C(F)(F)F)N
Isomeric SMILES CC(Cc1cccc(c1)C(F)(F)F)N
InChI InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
InChI Key MLBHFBKZUPLWBD-UHFFFAOYSA-N
References
1. Rothman RB, Baumann MH, Savage JE, Rauser L, McBride A, Hufeisen SJ, Roth BL. (2000)
Evidence for possible involvement of 5-HT(2B) receptors in the cardiac valvulopathy associated with fenfluramine and other serotonergic medications.
Circulation, 102 (23): 2836-41. [PMID:11104741]