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Home > Encyclopedia > methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate structure

methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate 

structure
  • CAS No:

    77431-58-4

  • Formula:

    C21H26N2O3

  • Chemical Name:

    methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

  • Synonyms:

    UNII-WD3MZG9WTB;WD3MZG9WTB;Ibogamine-18-carboxylic acid, 21-hydroxy-, methyl ester;77431-58-4;albifloranine;DTXSID60228147;e(2R,4R,4aS,12bS)-4-(2-Hydroxyethyl)-1,2,3,4,4a,5,6,7,12,12b-decahydro-2,5-methanoindolo[3,2-d][1]benzazepine-12bbeta-carboxylic acid methyl ester

methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate Basic Attributes

354.4 g/mol

354.19434270 g/mol

WD3MZG9WTB

DTXSID60228147

Characteristics

65.6 Ų

Computed Properties

Molecular Weight:354.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:354.19434270
Monoisotopic Mass:354.19434270
Topological Polar Surface Area:65.6
Heavy Atom Count:26
Complexity:570
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1S,15R,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

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