Cas no 6887-28-1 (Gelsemicine)

Gelsemicine is a naturally occurring indole alkaloid derived from plants of the Gelsemium genus, notably Gelsemium elegans. It is recognized for its complex molecular structure and potent biological activity, particularly as a neurotoxin. Gelsemicine interacts with glycine receptors in the central nervous system, making it a subject of interest in neuropharmacological research. Its high specificity and affinity for these receptors provide valuable insights into receptor modulation and inhibitory neurotransmission. Due to its toxicity, gelsemicine is handled with strict safety protocols in laboratory settings. It serves as a critical tool for studying neural pathways and developing potential therapeutic agents targeting neurological disorders.
Gelsemicine structure
Gelsemicine structure
Product Name:Gelsemicine
CAS No:6887-28-1
MF:C20H26N2O4
MW:358.431445598602
CID:519519
PubChem ID:5462428
Update Time:2025-05-22

Gelsemicine Chemical and Physical Properties

Names and Identifiers

    • Spiro[3H-indole-3,7'(6'H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one,2'-ethyl-2',3',3'a,4',8',8'a-hexahydro-1,6-dimethoxy-,(2'R,3S,3'R,3'aS,6'R,8'aS)-
    • Gelsedine, 11-methoxy-
    • GELSEMICINE
    • Spiro[3H-indole-3,7'(6'H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one,2'-ethyl-2',3',3'a,4',8',8'a-hexahydro-1,6-dimethox
    • (2'R,3S,3'R,3'aS,6'R,8'aS)-2'-Ethyl-2',3',3'a,4',8',8'a-hexahydro-1,6-dimethoxyspiro[3H-indole-3,7'(6'H)-[3,6]methano[1H]oxepino[4,3-b]pyrrol]-2(1H)-one
    • 11-Methoxygelsedine
    • DTXSID20420145
    • NS00094660
    • 6887-28-1
    • Q27106706
    • (1R,2S,4S,6R,7R,8S)-6-ethyl-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
    • CHEBI:5293
    • C09203
    • CHEMBL523430
    • Gelsemicine
    • Inchi： 1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1
    • InChI Key： RIHQHYIWKHVLRH-XKTBTPLDSA-N
    • SMILES： O1C[C@@H]2[C@@H]3C[C@@]4(C(N(C5C=C(C=CC4=5)OC)OC)=O)[C@H]1C[C@H]2[C@@H](CC)N3

Computed Properties

  • Exact Mass: 358.18900
  • Monoisotopic Mass: 358.189257
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 586
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.29±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 171 oC (acetone )
  • Boiling Point: 504°C at 760 mmHg
  • Flash Point: 258.6°C
  • Refractive Index: 1.614
  • Solubility: Almost insoluble (0.061 g/l) (25 o C),
  • PSA: 60.03000
  • LogP: 2.41020

Gelsemicine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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G253655-2.5mg
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