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Chemical structure of 5-hydroxymethyl Tolterodine (formate)

GC42551

5-hydroxymethyl Tolterodine (formate)

Also known as 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;formic acid

5-hydroxymethyl Tolterodine is an active metabolite of the muscarinic acetylcholine receptor antagonists tolterodine and fesoterodine

ChemicalCAS380636-49-7MW387.5FormulaC22H31NO2•CH2O2
CAS number
380636-49-7
Molecular weight
387.5
Formula
C22H31NO2•CH2O2
Solubility
DMSO: soluble,Methanol: soluble
InChIKey
YXSFRJSZLSBBRR-VEIFNGETSA-N
Catalogue number
GC42551
Brand
GLPBIO
Computed properties PubChem CID 131667828 · TPSA 81 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
81 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28

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

Computed descriptors from PubChem (CID 131667828), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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