Basic information
- CAS
41431-41-8- Standard SMILES
CCCC[NH+]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(O)c(OC)c1-3.[Cl-]- InChIKey
IZKOVKKMIFNGFL-NTISSMGPSA-N- Molecular formula
- C23H30ClNO4
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1863361
Names & identifiers
- Preferred name
- 6a-alpha-Noraporphin-9-ol, 6-butyl-1,2,10-trimethoxy-, hydrochloride
- IUPAC
- (6aS)-6-butyl-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride
Names & synonyms
6-Butyl-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride6a-alpha-NORAPORPHIN-9-OL, 6-BUTYL-1,2,10-TRIMETHOXY-, HYDROCHLORIDE41431-41-8RefChem:309454
Database identifiers
- CAS
41431-41-8- PubChem CID
- 38860
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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