Scopolaminemethyl nitrate
[CAS# 51-33-2]

Identification

• Name: Scopolaminemethyl nitrate
• Synonyms: 1-Alpha-H,5-Alpha-H-Tropanium, 6-Beta,7-Beta-Epoxy-3-Alpha-Hydroxy-8-Methyl-, Nitrate, (-)-Tropate; 1Alphah,5Alphah-Tropanium, 6Beta,7Beta-Epoxy-3Alpha-Hydroxy-8-Methyl-, Nitrate, (-)-Tropate; 3-Oxa-9-Azoniatricyclo(3.3.1.0(2,4))Nonane, 7-(3-Hydroxy-1-Oxo-2-Phenylpropoxy)-9,9-Dimethyl-, (7(S)-(1Alpha,2Beta,4Beta,5Alpha,7Beta))-, Nitrate (Salt)
• Molecular Formula: C₁₈H₂₄N₂O₇
• Molecular Weight: 380.40
• CAS Registry Number: 51-33-2
• SMILES: [C@H]12O[C@H]1[C@H]4[N+]([C@H]2CC(OC(=O)C(C3=CC=CC=C3)CO)C4)(C)C.O=[N+]([O-])[O-]
• InChI: 1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12-,13?,14-,15-,16-,17+;/m0./s1
• InChIKey: BSQIVYOSLFLSGE-PEKQPXTGSA-N