(9S)-10,11-Dihydro-6'-methoxycinchonan-3,9-diol sulfate
[CAS# 130061-81-3]

Identification

• Name: (9S)-10,11-Dihydro-6'-methoxycinchonan-3,9-diol sulfate
• Synonyms: (3S,4R,6R)-3-Ethyl-6-[(S)-Hydroxy-(6-Methoxy-4-Quinolyl)Methyl]Quinuclidin-3-Ol; Sulfuric Acid; (3S,4R,6R)-3-Ethyl-6-[(S)-Hydroxy-(6-Methoxy-4-Quinolyl)Methyl]-3-Quinuclidinol; Sulfuric Acid; 3-Hydroxy-10,11-Dihydroquinidine
• Molecular Formula: C₂₀H₂₈N₂O₇S
• Molecular Weight: 440.51
• CAS Registry Number: 130061-81-3
• SMILES: [C@H]1(N2C[C@@](O)([C@@H](C1)CC2)CC)[C@@H](O)C3=CC=NC4=CC=C(OC)C=C34.O=[S](=O)(O)O
• InChI: 1S/C20H26N2O3.H2O4S/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17;1-5(2,3)4/h4-6,8,11,13,18-19,23-24H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)/t13-,18-,19+,20-;/m1./s1
• InChIKey: MMCFRFNECGZXQH-APFZWMIBSA-N

Properties

• Boiling point: 536.3°C at 760 mmHg (Cal.)
• Flash point: 278.1°C (Cal.)