Darotropium bromide
3-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile bromide
Molecular Identity
Darotropium bromide
3-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile bromide
PubChem CID: 46174144
2D Structure
Properties
C24H29BrN2
Molecular Formula
425.40
Molecular Weight
g/mol
424.1514
Exact Mass
Da
23.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
496
Complexity
SMILES
Canonical SMILES
SMILES: C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]Isomeric SMILES
SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]Synonyms(20)
Darotropium bromide850607-58-8gsk233705GSK233705BUNII-2W2V1U785Agsk-233705Darotropium (bromide)Darotropium bromide [USAN:INN]2W2V1U785A3-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile;bromideGSK-233705B(1R,3R,5S)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane bromide8-Azoniabicyclo(3.2.1)octane, 3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-, bromide, (3-endo)-Darotropium bromide [USAN]GSK 233705B
Data from PubChem (NCBI)
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