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Chemical structure of Sofpironium bromide

GC63196

Sofpironium bromide

Also known as [(3R)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate bromide

Sofpironium bromide (BBI 4000) is an anticholinergic agent used in the study of primary axillary hyperhidrosis (PAH)

ChemicalCAS1628106-94-4MW470.4FormulaC22H32BrNO5
CAS number
1628106-94-4
Molecular weight
470.4
Formula
C22H32BrNO5
Solubility
DMSO ： 100 mg/mL (212·59 mM; Need ultrasonic)
InChIKey
FIAFMTCUJCWADZ-JOFREBOKSA-M
Catalogue number
GC63196
Brand
GLPBIO
Computed properties PubChem CID 86301316 · TPSA 72.8 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
72.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29

SMILES CCOC(=O)C[N+]1(CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

Computed descriptors from PubChem (CID 86301316), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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