Dioscorine

Base Information

• Chemical Name: Dioscorine
• CAS No.: 3329-91-7
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.2955
• NSC Number: 107662
• DSSTox Substance ID: DTXSID90871887
• Wikipedia: Dioscorine
• Wikidata: Q105345998
• ChEMBL ID: CHEMBL2010034
• Mol file: 3329-91-7.mol

Synonyms:Dioscorea dumetorum, alkaloids;NIOSH/JG5786800;3329-91-7;JG57868000;2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one;(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one;NSC107662;NSC-107662;4',5-dimethylspiro[5-azabicyclo[2.2.2]octane-2,2'-pyran]-6'(3'h)-one;CHEMBL2010034;DTXSID90871887;WLN: T66 A B AN DXTJ A1 D-& CT6VOX DHJ E1;2,4'-Dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-[2H]pyran]-6'(3'H)-one, 9CI;Spiro[2-azabicyclo[2.2.2]octane-5, 2,4'-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-

Chemical Property of Dioscorine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 363

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Plant Toxins
• Canonical SMILES: CC1=CC(=O)OC2(C1)CC3CCC2CN3C