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Chemical structure of Fesoterodine L-mandelate

GC39380

Fesoterodine L-mandelate

Also known as [2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate;(2S)-2-hydroxy-2-phenylacetic acid

Fesoterodine L-mandelate is an orally active, nonsubtype selective, competitive muscarinic receptor (mAChR) antagonist with pKi values of 8·0, 7·7, 7·4, 7·3, 7·5 for M1, M2, M3, M4, M5 receptors, respectively

ChemicalCAS1206695-46-6MW563.72FormulaC34H45NO6
CAS number
1206695-46-6
Molecular weight
563.72
Formula
C34H45NO6
Solubility
DMSO ： 100 mg/mL (177·39 mM; Need ultrasonic)
InChIKey
BUMCIEARGQDQNL-SXTNJFIWSA-N
Catalogue number
GC39380
Brand
GLPBIO
Computed properties PubChem CID 44232509 · TPSA 107 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
107 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
41

SMILES CC(C)C(=O)OC1=C(C=C(C=C1)CO)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.C1=CC=C(C=C1)[C@@H](C(=O)O)O

Computed descriptors from PubChem (CID 44232509), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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