Basic information
- CAS
50720-31-5- Standard SMILES
C/C=C1/CN(C)C2Cc3c(n(C)c4ccccc34)C(=O)CC1C2C(=O)OC.Cl- InChIKey
DCSDXNUUPKCZBK-UCHKSFBOSA-N- Molecular formula
- C22H27ClN2O3
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1710204
Names & identifiers
- Preferred name
- Epi-16 ochropamine chlorhydrate
- IUPAC
- methyl (15E)-15-ethylidene-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;hydrochloride
Names & synonyms
16-EpivobasineEpi-16 ochropamine chlorhydrateOchropamine hydrochloride16-Epiochropamine hydrochlorideOchropamine chlorhydrate [French]Ochropamine chlorhydrateEpi-16 vobasine chlorhydrate [French]Epi-16 vobasine chlorhydrate(16-R)-3-Oxovobasan-17-oic acid methyl ester hydrochloride(16R)-1-Methyl-3-oxovobasan-17-oic acid methyl ester hydrochlorideVobasan-17-oic acid, 3-oxo-, methyl ester, hydrochloride, (16-R)-Vobasan-17-oic acid, 1-methyl-3-oxo-, methyl ester, hydrochloride, (16-R)-
Show more names
50720-31-571339-13-4
Database identifiers
- CAS
50720-31-5、71339-13-4- PubChem CID
- 6445875
Properties
Computed structural properties
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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