methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
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methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
structure -
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CAS No:
80981-96-0
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Formula:
C22H28N2O4
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Chemical Name:
methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
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Synonyms:
80981-96-0;3-Hydroxyvoacangine;Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-;DTXSID401001671;Methyl 19-hydroxy-12-methoxyibogamine-18-carboxylate
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CAS No:
methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate Basic Attributes
384.5 g/mol
384.20490738 g/mol
Computed Properties
Molecular Weight:384.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:384.20490738
Monoisotopic Mass:384.20490738
Topological Polar Surface Area:74.8
Heavy Atom Count:28
Complexity:630
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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