Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester
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Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester
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CAS No:
1357-30-8
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Formula:
C42H50N4O5
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Chemical Name:
Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester
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Synonyms:
Ibogamine-18-carboxylic acid,14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-,methyl ester;Ibogamine-18-carboxylic acid,14-[(3α)-4-demethyl-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-,methyl ester;Conodurine,N-demethyl-;6,9-Methano-5H-pyrido[1′,2′:1,2]azepino[4,5-b]indole,ibogamine-18-carboxylic acid deriv.;Vobasan,ibogamine-18-carboxylic acid deriv.;2,6-Methano-1H-azecino[5,4-b]indole,ibogamine-18-carboxylic acid deriv.;Gabunine;N-Demethylconodurine
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CAS No:
Ibogamine-18-carboxylic acid, 14-[(2S,5E,6R,8S,14S)-5-ethylidene-2,3,4,5,6,7,8,9-octahydro-14-(methoxycarbonyl)-2,6-methano-1H-azecino[5,4-b]indol-8-yl]-13-methoxy-, methyl ester Basic Attributes
690.9 g/mol
690.87
DTXSID60474622
Computed Properties
Molecular Weight:690.9
XLogP3:5.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:690.37812071
Monoisotopic Mass:690.37812071
Topological Polar Surface Area:109
Heavy Atom Count:51
Complexity:1370
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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