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Chemical structure of (Rac)-5-Hydroxymethyl Tolterodine hydrochloride

GC71582

(Rac)-5-Hydroxymethyl Tolterodine hydrochloride

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

(Rac)-5-Hydroxymethyl Tolterodine ((Rac)-Desfesoterodine) hydrochloride, an active metabolite of Tolterodine, is a mAChR antagonist (Ki values of 2·3 nM, 2 nM, 2·5 nM, 2·8 nM, and 2·9 nM for M1, M2, M3, M4, and M5 receptors, respectively)

ChemicalCAS250214-40-5MW377.95FormulaC22H32ClNO2
CAS number
250214-40-5
Molecular weight
377.95
Formula
C22H32ClNO2
InChIKey
YCJSMQLBWOHICX-UHFFFAOYSA-N
Catalogue number
GC71582
Brand
GLPBIO
Computed properties PubChem CID 78358029 · TPSA 43.7 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
43.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
26

SMILES CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C.Cl

Computed descriptors from PubChem (CID 78358029), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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