Coronaridine hydrochloride
Basic information
- CAS
4503-12-2- Standard SMILES
CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2O)[C@@H]13.Cl- InChIKey
AJIYIDKEZBBKQG-FKTXENOYSA-N- Molecular formula
- C21H27ClN2O3
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1710204
Names & identifiers
- Preferred name
- Coronaridine hydrochloride
- IUPAC
- methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;hydrochloride
- English name
- CARBOMETHOXYIBOGAMINE HYDROCHLORIDE
- Molecular formula
- C21H27ClN2O2
- Molecular weight
- 374.9
Names & synonyms
Coronaridine hydrochlorideRefChem:10822224503-12-2(-)-Coronaridine monohydrochlorideDTXSID00963328Ibogamine-18-carboxylic acid, methyl ester, hydrochloride6,9-Methano-8H-pyrido(1',2':1,2)azepino(4,5-b)indole-6(6ah)-carboxylic acid, 7,8,9,10,12,13-hexahydro-6-ethyl-13a-hydroxy-, methyl ester, hydrochlorideMethyl 19-hydroxyibogamine-18-carboxylate--hydrogen chloride (1/1)Methyl (6xi)-19-hydroxy-5beta-ibogamine-18-carboxylate--hydrogen chloride (1/1)CARBOMETHOXYIBOGAMINE HYDROCHLORIDE
Database identifiers
- CAS
4503-12-2- PubChem CID
- 165238
- DTXSID
DTXSID00963328
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Melting point
- 235 °C · 235 °C (decomp)(Solv: acetone (67-64-1))
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Compound notes
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