Gelsemine, 1-methoxy-

Base Information

• Chemical Name: Gelsemine, 1-methoxy-
• CAS No.: 38990-03-3
• Molecular Formula: C₂₁H₂₄N₂O₃
• Molecular Weight: 352.433
• DSSTox Substance ID: DTXSID70959834
• Mol file: 38990-03-3.mol

Synonyms:Gelsevirine;38990-03-3;Gelsemine, 1-methoxy-;(1R,5S,6S,7S,8S)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one;DTXSID70959834;D85052;Spiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1'H)-one, 5-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-1'-methoxy-7-methyl-, (3R,3'S,4aR,5S,8S,8aS,9S)-

Chemical Property of Gelsemine, 1-methoxy-

Chemical Property:

• Boiling Point: 456.6°Cat760mmHg
• PKA: 8.85±0.40(Predicted)
• Flash Point: 229.9°C
• PSA: 42.01000
• Density: 1.34g/cm³
• LogP: 1.98640
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 352.17869263
• Heavy Atom Count: 26
• Complexity: 682

Purity/Quality:

HPLC≥97% ^*data from raw suppliers

Gelsevirine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6N(C5=O)OC)C=C
• Isomeric SMILES: CN1CC2([C@@H]3C[C@H]4[C@]5([C@H]2[C@H]1C3CO4)C6=CC=CC=C6N(C5=O)OC)C=C
• Uses: Gelsevirine, is a derivative of Gelsemine (G304560), the principle alkaloid of the yellow jasmine (Gelsemium). Gelsemine activates spinal α3 glycine receptors which produces antinociception and gelsemine contains anxiolytic properties.