Basic information
- CAS
52389-27-2- Standard SMILES
CC(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1.Cl- InChIKey
LSZSZUUPKKTESX-GOXMAUIJSA-N- Molecular formula
- C24H30ClNO
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2015923
Names & identifiers
- Preferred name
- Dexclamol Hydrochloride
- IUPAC
- (1R,6R,8R)-6-propan-2-yl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol;hydrochloride
Names & synonyms
DEXCLAMOL HYDROCHLORIDEDexclamol HClDexclamol hydrochloride [USAN](+)-Dexclamol-hydrochlorideUNII-7DWJ51V84C7DWJ51V84CAY-24169AY-24,16952389-27-2AY 24169Dexclamol hydrochloride (USAN)DTXSID40200401
Show more names
(+)-2,3,4,4abeta,8,9,13balpha,14-Octahydro-3alpha-isopropyl-1H-benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol hydrochloride(+)-2,3,4,4A.BETA.,8,9,13B.ALPHA.,14-OCTAHYDRO-3.ALPHA.-ISOPROPYL-1H-BENZO(6,7)CYCLOHEPTA(1,2,3-DE)PYRIDO(2,1-A)ISOQUINOLIN-3-OL HYDROCHLORIDE1H-BENZO(6,7)CYCLOHEPTA(1,2,3-DE)PYRIDO(2,1-A)ISOQUINOLIN-3-OL, 2,3,4,4A,8,9,13B,14-OCTAHYDRO-3-(1-METHYLETHYL)-, HYDROCHLORIDE, (3.ALPHA.,4A.ALPHA.,13B.BETA.)-(+)-1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol, 2,3,4,4a,8,9,13b,14-octahydro-3-(1-methylethyl)-, hydrochloride, (3alpha,4aalpha,13bbeta)-(+)-1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquinolin-3-ol, 2,3,4,4a,8,9,13b,14-octahydro-3-(1-methylethyl)-, hydrochloride, (3S,4aS,13bS)-RefChem:132383DTXCID00122892AY 24,169
Database identifiers
- CAS
52389-27-2- PubChem CID
- 40342
- DTXSID
DTXSID40200401- ChEMBL
CHEMBL2106235- UNII
- 7DWJ51V84C
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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