$20.00
| CAS No.: | 149-64-4 |
| Molecular Formula | C₂₁H₃₀BrNO₄ |
| Molecular Weight | 440.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Alkaloids |
| Weight |
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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
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
InChIKey: HOZOZZFCZRXYEK-HNHWXVNLSA-M
Canonical SMILES: CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
Isomeric 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-]
Synonyms: scopolamine butylbromide; 149-64-4; Hyoscine butylbromide; N-Butylscopolammonium bromide; Scopolan; Buscapine; Buscolysin; Scobutil; …
Botanical Source: Dature Stramonium Datura L
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