Basic information
- CAS
18066-00-7- Standard SMILES
COC1=CC2(S)C(CCO)C(CCO)N3CC(CC(C)C)C(=O)CC3C2(S)C=C1OC.Cl- InChIKey
ZTENPYKSLVJBGV-UHFFFAOYSA-N- Molecular formula
- C23H38ClNO5S2
- Average molar mass
- 508.1 g/mol
- Monoisotopic mass
- 507.1879934
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-bis(2-hydroxyethylthio)-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride
- IUPAC
- 6,7-bis(2-hydroxyethyl)-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;hydrochloride
Names & synonyms
18066-00-72H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-2,2-bis(2-hydroxyethylthio)-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochlorideRefChem:268580DTXSID909393706,7-Bis(2-hydroxyethyl)-9,10-dimethoxy-3-(2-methylpropyl)-7a,11a-bis(sulfanyl)-1,3,4,6,7,7a,11a,11b-octahydro-2H-pyrido[2,1-a]isoquinolin-2-one--hydrogen chloride (1/1)
Database identifiers
- CAS
18066-00-7- PubChem CID
- 205477
- DTXSID
DTXSID90939370
Properties
Computed structural properties
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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