Basic information
- CAS
20686-18-4- Standard SMILES
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12.O=C(O)C(=O)O- InChIKey
GEJPAORKHGYXRB-QMFIGXPHSA-N- Molecular formula
- C25H30N2O9
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.19513054
Names & identifiers
- Preferred name
- Reserpiline oxalate
- IUPAC
- methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;oxalic acid
Names & synonyms
Reserpiline oxalateEINECS 243-969-720686-18-4Methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate, oxalateRESERPILINE, OXALATE6105-92-6EINECS 228-062-6NSC 72120Methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate, oxalate (1:1)Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3.beta.,19.alpha.,20.alpha.)-, ethanedioate (1:1)methyl dimethoxy(methyl)[?]carboxylate; oxalic acid
Database identifiers
- CAS
20686-18-4、6105-92-6- PubChem CID
- 73406
- EC Number
- 228-062-6、243-969-7
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 771
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…