Ethyl vincaminate N-oxide

Base Information

• Chemical Name: Ethyl vincaminate N-oxide
• CAS No.: 52341-36-3
• Molecular Formula: C22H28N2O4
• Molecular Weight: 384.4687
• DSSTox Substance ID: DTXSID20966730
• Mol file: 52341-36-3.mol

Synonyms:Ethyl vincaminate N-oxide;52341-36-3;N-Oxyde de vincaminate d'ethyle [French];N-Oxyde de vincaminate d'ethyle;Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, ethyl ester, 4-oxide, (3-alpha,14-beta,16-alpha)-;ethyl (15S,17S,19S)-15-ethyl-17-hydroxy-11-oxido-1-aza-11-azoniapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;DTXSID20966730;LS-63702;Ethyl 13a-ethyl-12-hydroxy-4-oxo-1,2,3,4,5,6,12,13,13a,13b-decahydro-4lambda~5~-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate

Chemical Property of Ethyl vincaminate N-oxide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 384.20490738
• Heavy Atom Count: 28
• Complexity: 658

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCC[N+]3(C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OCC)O)[O-]
• Isomeric SMILES: CC[C@@]12CCC[N+]3([C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OCC)O)[O-]

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