10-Methoxyibogamine

HCID 442108CAS 83-74-9

Basic information

Standard SMILES
CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13
InChIKey
HSIBGVUMFOSJPD-NXWOVTFFSA-N
Molecular formula
C20H26N2O
Average molar mass
310.4 g/mol

Overview

See also: Ibogaine (annotation moved to).

Names & identifiers

Preferred name
10-Methoxyibogamine
IUPAC
(1R,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

Names & synonyms

10-MethoxyibogamineCHEMBL222287AC1L9C9BSCHEMBL21333266SCHEMBL31166257CHEBI:471972HSIBGVUMFOSJPD-NXWOVTFFSA-NBDBM50206577AKOS032948157(1R,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene3,13-Diaza-17-ethyl-7-methoxypentacyclo[13.3.1.0<2,10>.0<4,9>.0<13,18>]nonadeca-2(10),4,6,8-tetraene

Database identifiers

CAS
83-74-9
PubChem CID
442108

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
28.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
23

Related reactions

7 records

Linked notes

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