Basic information
- CAS
6866-93-9- Standard SMILES
CC=C1C[N+]2(C)CCC34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14- InChIKey
ZEMNDQUOMWGCAZ-CVPVZSHVSA-O- Molecular formula
- C20H23N2O+
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.18103836
Overview
C fluorocurarine has been reported in Strychnos mitscherlichii with data available.
Names & identifiers
- Preferred name
- 17-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium
- IUPAC
- (11S,17S)-12-ethylidene-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
Names & synonyms
DTXSID5098834917-Hydroxy-4-methyl-1,2-didehydrocura-16,19-dien-4-ium(19E)-2,16,19,20-Tetradehydro-4-methyl-17-oxocuran-4-ium
Database identifiers
- CAS
6866-93-9- PubChem CID
- 201810
- DTXSID
DTXSID50988349
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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