Product Name

3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide Chemical Properties

Molecular structure of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide (CAS NO.850607-58-8) is:

Product Name: 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
CAS Registry Number: 850607-58-8
IUPAC Name: 3-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile bromide
Molecular Weight: 425.40446 [g/mol]  
Molecular Formula: C24H29BrN2  
H-Bond Donor: 0  
H-Bond Acceptor: 2
Classification Code: Treatment of COPD
Canonical SMILES: C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
Isomeric SMILES: C[N+]1([C@@H]2CC[C@H]1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
InChI: InChI=1S/C24H29N2.BrH/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19,22-23H,13-17H2,1-2H3;1H/q+1;/p-1/t19?,22-,23+; 
InChIKey: CWRNUVNMUYSOFQ-FUHGUCTDSA-M

3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide Specification

 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide , its cas register number is 850607-58-8. It also can be called Darotropium bromide [USAN] ; (1R,3R,5S)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane bromide ; Darotropium bromide ; 8-Azoniabicyclo(3.2.1)octane, 3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-, bromide, (3-endo)- .

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