Isoapocodeine hydrochloride
Basic information
- CAS
38322-41-7- Standard SMILES
COc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3.Cl- InChIKey
DDUUROFDEOZAKA-PFEQFJNWSA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1182566
Names & identifiers
- Preferred name
- Isoapocodeine hydrochloride
- IUPAC
- (6aR)-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol;hydrochloride
Names & synonyms
Isoapocodeine hydrochloride38322-41-710-Hydroxy-11-methoxyaporphine hydrochloride(R)-5,6,6a,7-Tetrahydro-11-methoxy-6-methyl-4H-dibenzo(de,g)quinolin-10-ol hydrochloride4H-Dibenzo(de,g)quinolin-10-ol, 5,6,6a,7-tetrahydro-11-methoxy-6-methyl-, hydrochloride, (R)-RefChem:349544DTXSID70959238(6aR)-11-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol--hydrogen chloride (1/1)11-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
38322-41-7- PubChem CID
- 217213
- DTXSID
DTXSID70959238
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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