Basic information
- CAS
70403-80-4- Standard SMILES
COc1ccc2cc3c4c(cc(OC)c(OC)c4c2c1)CCN3C- InChIKey
GBMJDWKCPRQQMY-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Names & identifiers
- Preferred name
- 1,2,10-Trimethoxydehydroaporphine
- IUPAC
- 4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
Names & synonyms
1,2,10-Trimethoxydehydroaporphine70403-80-4CCRIS 38216RG76JH8JHDTXSID902206795,6-Dihydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinoline1,2,10-trimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline4H-Dibenzo[de,g]quinoline, 5,6-dihydro-1,2,10-trimethoxy-6-methyl-
Database identifiers
- CAS
70403-80-4- PubChem CID
- 153251
- DTXSID
DTXSID90220679- UNII
- 6RG76JH8JH
- Nikkaji
- J522.963D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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