Scopolamine butylbromide

• CAS: 149-64-4
• Catalog Number: ACM149644
• Category: Main Products
• Molecular Weight: 440.37
• Molecular Formula: C21H30BrNO4
• Synonyms: (1S,2R,4S,5S)-9-butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide
• IUPAC Name: [(1S,2S,4R,5R)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
• Canonical SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
• InChI: InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1
• InChI Key: HOZOZZFCZRXYEK-HNHWXVNLSA-M
• Melting Point: 142-144 °C
• Appearance: Powder
• EC Number: 205-744-1
• Exact Mass: 439.13600
• Hazard Statements: Xn
• Packing Group: III
• Stability: Stable at normal temperatures and pressures.
• Supplemental Hazard Statements: H302
• Symbol: GHS07
• WGK Germany: 3