18-Methoxycoronaridine
methyl (1S,15R,17R,18S)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Molecular Identity
18-Methoxycoronaridine
methyl (1S,15R,17R,18S)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
PubChem CID: 15479177
2D Structure
Properties
C22H28N2O3
Molecular Formula
368.50
Molecular Weight
g/mol
368.2100
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
54.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: COCCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OCIsomeric SMILES
SMILES: COCC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OCSynonyms(20)
18-methoxycoronaridine(-)-18-Methoxycoronaridine18-MC compound308123-60-6Ibogamine-18-carboxylic acid, 21-methoxy-, methyl esterKX8NQX91Z8ZOLUNICANT, (-)-DTXSID40437331RefChem:908273DTXCID20388155methyl (1S,15R,17R,18S)-17-(2-methoxyethyl)-3,13-diazapentacyclo(13.3.1.0^(2,10).0^(4,9).0^(13,18))nonadeca-2(10),4(9),5,7-tetraene-1-carboxylateZolunicant188125-42-0(+/-)-18-Methoxycoronaridine18-Methoxycoronaridine, (+/-)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 18-Methoxycoronaridine
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