AC1L52NV
methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;hydrochloride
Also Known As: Coronaridine, monohydrochloride, (+)-|Coronaridine, monohydrochloride, (.+.)-|Ibogamine-18-carboxylic acid, methyl ester, monohydrochloride|Methyl ibogamine-18-carboxylate--hydrogen chloride (1/1)|methyl(2|A)-ibogamine-18-carboxylate hydrochloride(1:1)|Ibogamine-18-carboxylic acid, methyl ester, monohydrochloride, (.+.)-|Methyl (6xi)-2alpha-ibogamine-18-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C21H27ClN2O2 |
|---|---|
| Molecular Weight | 374.17612 g/mol |
| LogP | 3.677 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.17612 |
| Monoisotopic Mass | 374.17612 |
| Heavy Atoms | 26 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 3448-36-0 |
|---|---|
| SMILES | CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.Cl |
| InChIKey | PAIAPVHVADEXQU-YXMWZOBESA-N |
Product Overview
AC1L52NV (CAS 3448-36-0), with molecular formula C21H27ClN2O2 and molecular weight 374.17612 g/mol. IUPAC: methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;hydrochloride.
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