Skf 38393
Basic information
- CAS
67287-49-4- Standard SMILES
Oc1cc2c(cc1O)C(c1ccccc1)CNCC2- InChIKey
JUDKOGFHZYMDMF-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Overview
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol is a benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. It is a member of catechols, a benzazepine and a secondary amino compound.
Names & identifiers
- Preferred name
- Skf 38393
- IUPAC
- 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
- English name
- SK&F-38393
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
SKF 3839367287-49-4SKF-38393SK&F-383932,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepineSKF38393SK&F 383932,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-R7TF327S2CSKF-38,393SKF 38393-A
Show more names
SKF38393 free baseSKF38393 free base,SKF 38393 free base1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(±)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,8-diol
RSK&F 38393SKF 38393 ASK&F38393RefChem:388746CHEBI:131793SKF-38393, (A+-)-SKF-38393 free base1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
Database identifiers
- CAS
67287-49-4- PubChem CID
- 1242
- DTXSID
DTXSID10894836- ChEMBL
CHEMBL286080- ChEBI
CHEBI:131801- UNII
- R7TF327S2C
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
- Boiling point
- 467.1 · 467.1±45.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.40(Predicted)
- FDA UNII
- 7 TF327S2C · R7TF327S2C
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to and activate dopamine receptors.
Additional notes
DefinitionChEBI: 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol is a benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. It is a benzazepine, a member of catechols and a secondary amino compound.
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