Basic information
- CAS
50720-30-4- Standard SMILES
C/C=C1/CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC.Cl- InChIKey
QTNJWRQWYXKRPM-XHNKNCTESA-N- Molecular formula
- C21H25ClN2O3
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1553704
Names & identifiers
- Preferred name
- Vobasine hydrochloride
- IUPAC
- methyl (15E)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;hydrochloride
Names & synonyms
Vobasine hydrochloride50720-30-4Vobasine chlorhydrateVobasine chlorhydrate [French]3-Oxobasan-17-oic acid methyl ester hydrochlorideVobasan-17-oic acid, 3-oxo-, methyl ester, monohydrochloridemethyl (15E)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;hydrochloride
Database identifiers
- CAS
50720-30-4- PubChem CID
- 6445874
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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