Basic information
- CAS
41829-07-6- Standard SMILES
COc1cc2c3c(c1OC)[C@@H]1O[C@@H]1C[C@@H]3N(C)CC2- InChIKey
JWLCFWVVSYSILG-ZVWUFJHRSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 4H-Benz(de)oxireno(g)quinoline, 5,6,6a,7,7a,8a-hexahydro-1,2-dimethoxy-6-methyl-, (6a-alpha,7a-alpha,8a-alpha)-
- IUPAC
- (1S,10S,12R)-7,8-dimethoxy-2-methyl-11-oxa-2-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5,7,9(14)-triene
Names & synonyms
BRN 49158707-alpha,8-alpha-Epoxy-2,3,7,8,9,9a-beta-5,6-dimethoxy-1-methyl-1H-benzo(de)chinolin41829-07-64H-Benz(de)oxireno(g)quinoline, 5,6,6a,7,7a,8a-hexahydro-1,2-dimethoxy-6-methyl-, (6a-alpha,7a-alpha,8a-alpha)-RefChem:297469DTXSID709620001,2-Dimethoxy-6-methyl-5,6,6a,7,7a,8a-hexahydro-4H-benzo[de]oxireno[g]quinoline(6aS,7aR,8aS)-1,2-Dimethoxy-6-methyl-5,6,6a,7,7a,8a-hexahydro-4H-benzo[de]oxireno[g]quinoline
Database identifiers
- CAS
41829-07-6- PubChem CID
- 3038696
- DTXSID
DTXSID70962000
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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