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Name |
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide |
EINECS | N/A |
CAS No. | 850607-58-8 | Density | N/A |
PSA | 23.79000 | LogP | 1.86658 |
Solubility | N/A | Melting Point |
N/A |
Formula | C24H29N2.Br | Boiling Point | N/A |
Molecular Weight | 425.40400 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Darotropium bromide; |
Article Data | 4 |
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 , 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)- .