Basic information
- CAS
101832-28-4- Standard SMILES
COc1cc2c3c(c1OC)-c1c(ccc(O)c1OC)C[C@@H]3[NH+](Cc1ccccc1)CC2.[Cl-]- InChIKey
FJDLQOBSBIAHFC-FYZYNONXSA-N- Molecular formula
- C26H28ClNO4
- Average molar mass
- 454 g/mol
- Monoisotopic mass
- 453.1706861
Names & identifiers
- Preferred name
- 6a-alpha-Noraporphin-9-ol, 6-benzyl-1,2,10-trimethoxy-, hydrochloride
- IUPAC
- (6aS)-6-benzyl-1,2,11-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10-ol chloride
Names & synonyms
6-Benzyl-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride6a-alpha-NORAPORPHIN-9-OL, 6-BENZYL-1,2,10-TRIMETHOXY-, HYDROCHLORIDE101832-28-4RefChem:309453
Database identifiers
- CAS
101832-28-4- PubChem CID
- 58987
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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