(1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
Basic information
- CAS
81702-43-4- Standard SMILES
Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2- InChIKey
JUDKOGFHZYMDMF-AWEZNQCLSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Overview
(S)-SKF 38393 is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the S-enantiomer of SKF 38393. It is a conjugate base of a (S)-SKF 38393(1+). It is an enantiomer of a (R)-SKF 38393.
Names & identifiers
- Preferred name
- (1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
- IUPAC
- (5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
- English name
- S(-)-SKF-38393 HCL
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
81702-43-4(S)-SKF-38393G5IHG5BM57(1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diolUNII-G5IHG5BM57SKF-38393, (S)-CHEMBL284746(5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol(S)-SKF 38393(1S)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (1S)-1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (S)-
Show more names
S(-)-SKF-38393 HCLS(-)-SKF-38393 HYDROCHLORIDES-(a?’)-SKF-38393 hydrochloride
S-(-)-SKF-38393 hydrochlorideTocris-0922Lopac-D-047orb1740837DTXSID50424959CHEBI:131796BDBM50004920S-(-)-SKF-38393 HCl
Database identifiers
- CAS
81702-43-4- PubChem CID
- 6603799
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 167 · 167-168 °C
- Boiling point
- 467.1 · 467.1±45.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 10.13 · 10.13±0.40(Predicted)
- color
- tan
- optical activity
- 27 · [α]27/D 14.8°, c = 1.7 in methanol(lit.)
- FDA UNII
- 5 IHG5BM57 · G5IHG5BM57
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesS-(-)-SKF-38393 is a partial D1 receptor agonist.
Additional notes
DefinitionChEBI: (S)-SKF 38393 is a 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the S-enantiomer of SKF 38393. It is a conjugate base of a (S)-SKF 38393(1+). It is an enantiomer of a (R)-SKF 38393.
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