Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (9S)-, sulfate (1:1) (salt)

Base Information

• Chemical Name: Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (9S)-, sulfate (1:1) (salt)
• CAS No.: 130061-81-3
• Molecular Formula: C20H28N2O7S
• Molecular Weight: 440.51052
• UNII: 2ZTE2KC7JW
• Mol file: 130061-81-3.mol

Synonyms:3-hydroxy-10,11-dihydroquinidine;LNC 834;LNC-834

Chemical Property of Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (9S)-, sulfate (1:1) (salt)

Chemical Property:

• Vapor Pressure: 2.48E-12mmHg at 25°C
• Boiling Point: 536.3°Cat760mmHg
• Flash Point: 278.1°C
• PSA: 148.80000
• Density: g/cm³
• LogP: 2.87800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 440.16172241
• Heavy Atom Count: 30
• Complexity: 557

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O)O.OS(=O)(=O)O
• Isomeric SMILES: CC[C@]1(CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)O.OS(=O)(=O)O