Basic information
- CAS
66408-19-3- Standard SMILES
COc1ccc2c(c1OC)C[N+]1([O-])CCc3cc4c(cc3C1C2O)OCO4- InChIKey
OAZLDYLMBSFNAY-UHFFFAOYSA-N- Molecular formula
- C20H21NO6
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13688739
Names & identifiers
- Preferred name
- Carpoxidine
- IUPAC
- 16,17-dimethoxy-13-oxido-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-ol
Names & synonyms
CarpoxidineOphiocarpine N-oxide(-)-Ophiocarpine N-oxide66408-19-36H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizin-13-ol, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, 7-oxide, (7S-(7alpha,13alpha,13abeta))-DTXSID109850569,10-Dimethoxy-7-oxo-5,6,7,8,13,13a-hexahydro-2H-7lambda~5~-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-13-ol
Database identifiers
- CAS
66408-19-3- PubChem CID
- 3085347
- DTXSID
DTXSID10985056
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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