alpha-Erythroidine

Base Information

• Chemical Name: alpha-Erythroidine
• CAS No.: 466-80-8
• Molecular Formula: C₁₆H₁₉NO₃
• Molecular Weight: 273.332
• European Community (EC) Number: 684-443-0
• UNII: 0M56M9D8T6
• DSSTox Substance ID: DTXSID10331559
• Wikidata: Q27236951
• Metabolomics Workbench ID: 68773
• Mol file: 466-80-8.mol

Synonyms:alpha-Erythroidine;466-80-8;alpha-Erythroidine [MI];UNII-0M56M9D8T6;0M56M9D8T6;C06531;1H,12H-Benzo(I)pyrano(3,4-g)indolizin-12-one, 2,6,8,9,9a,10-hexahydro-2-methoxy-, (2R,9aS,13bS)-;(3beta,12beta)-1,2,6,7-Tetradehydro-12,17-dihydro-3-methoxy-16(15H)-oxaerythrinan-15-one;AC1L9AI2;a-Erythroidine;SureCN4883322;SCHEMBL4883322;DTXSID10331559;.ALPHA.-ERYTHROIDINE [MI];Q27236951;4-[(R)-hydroxy-[(2S,5R)-5-vinylquinuclidin-2-yl]methyl]quinolin-6-ol;(2R,9aS,13bS)-2,6,8,9,9a,10-Hexahydro-2-methoxy-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one;(3-beta,12-beta)-1,2,6,7-tetradehydro-12,17-dihydro-3-methoxy-16(15H)-oxaerythrinan-15-one;(3.BETA.,12.BETA.)-1,2,6,7-TETRADEHYDRO-12,17-DIHYDRO-3-METHOXY-16(15H)-OXAERYTHRINAN-15-ONE

Chemical Property of alpha-Erythroidine

Chemical Property:

• Vapor Pressure: 5.41E-11mmHg at 25°C
• Melting Point: 58-60°
• Boiling Point: 522°C at 760 mmHg
• Flash Point: 269.5°C
• PSA: 38.77000
• Density: 1.27g/cm³
• LogP: 1.38310
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 273.13649347
• Heavy Atom Count: 20
• Complexity: 548

Purity/Quality:

12-METHOXY-4,4A,5,6,12,13-HEXAHYDRO-8H-PYRANO(4',3':3,4)PYRIDO(2,1-I)INDOL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CC23C(=CCN2CCC4C3=CC(=O)OC4)C=C1
• Isomeric SMILES: CO[C@@H]1C[C@@]23C(=CCN2CC[C@H]4C3=CC(=O)OC4)C=C1