Basic information
- CAS
19764-19-3- Standard SMILES
CN1CCC23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1- InChIKey
ZMTYENXGROJCEA-AIELXWJGSA-N- Molecular formula
- C22H24N2O4
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.17360725
Names & identifiers
- Preferred name
- 12-Hydroxy-N-methylpseudostrychnine
- IUPAC
- (10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
Names & synonyms
12-Hydroxy-N-methylpseudostrychnine4-Hydroxy-19-methyl-16,19-secostrychnidine-10,16-dione4,16-Dihydroxy-19-methyl-10-oxostrychnidiniumStrychnidinium, 4,16-dihydroxy-19-methyl-10-oxo-19764-19-3
Database identifiers
- CAS
19764-19-3- PubChem CID
- 209348
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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