Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, ethyl ester, (14alpha)-
Basic information
- CAS
68780-79-0- Standard SMILES
CCOC(=O)[C@]1(O)C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32- InChIKey
XRMLLVHAALNSGZ-KSEOMHKRSA-N- Molecular formula
- C22H28N2O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.20999276
Names & identifiers
- Preferred name
- Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, ethyl ester, (14alpha)-
- IUPAC
- ethyl (15R,17R,19R)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Names & synonyms
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, ethyl ester, (14alpha)-68780-79-0
Database identifiers
- CAS
68780-79-0- PubChem CID
- 155176
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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