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Chemical structure of Cimetropium Bromide (DA-3177)

GC30955

Cimetropium Bromide (DA-3177)

Also known as [9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide

Cimetropium Bromide (DA-3177) (DA-3177) is a mAChR antagonist for long-term treatment of irritable bowel syndrome

ChemicalCAS51598-60-8MW438.36FormulaC21H28BrNO4
CAS number
51598-60-8
Molecular weight
438.36
Formula
C21H28BrNO4
Solubility
Water : 50 mg/mL (114·06 mM)
InChIKey
WDURTRGFUGAJHA-BITHUKPRSA-M
Catalogue number
GC30955
Brand
GLPBIO
Computed properties PubChem CID 10048741 · TPSA 59.1 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
59.1 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

SMILES C[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]

Computed descriptors from PubChem (CID 10048741), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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