Corynantheine hydrochloride

Base Information

• Chemical Name: Corynantheine hydrochloride
• CAS No.: 5986-06-1
• Molecular Formula: C22H27ClN2O3
• Molecular Weight: 366.4534
• UNII: E78X9R5H9L
• Wikidata: Q27276965
• Mol file: 5986-06-1.mol

Synonyms:Corynantheine hydrochloride;Corynantheine, monohydrochloride;E78X9R5H9L;17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-, hydrochloride;5986-06-1;UNII-E78X9R5H9L;CORYNANTHEINE HYDROCHLORIDE [MI];CORYNANTHEINE HYDROCHLORIDE, (+)-;LS-144746;Q27276965;(.ALPHA.E,2S,3R,12BS)-3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID METHYL ESTER, HYDROCHLORIDE;INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, MONOHYDROCHLORIDE, (.ALPHA.E,2S,3R,12BS)-

Chemical Property of Corynantheine hydrochloride

Chemical Property:

• Vapor Pressure: 1.89E-11mmHg at 25°C
• Melting Point: 103-107°; mp 165-166°
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 533.2°Cat760mmHg
• Flash Point: 276.3°C
• PSA: 54.56000
• Density: 1.22g/cm³
• LogP: 4.33240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 402.1710204
• Heavy Atom Count: 28
• Complexity: 604

Purity/Quality:

99% ^*data from raw suppliers

Hirsuteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC.Cl
• Isomeric SMILES: CO/C=C(\[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3)/C(=O)OC.Cl