Basic information
- CAS
95191-55-2- Standard SMILES
CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1- InChIKey
GOTMKOSCLKVOGG-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO
- Average molar mass
- 287.8 g/mol
- Monoisotopic mass
- 287.10769188
Overview
SCH 23390 is a benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. It has a role as a dopaminergic antagonist. It is a benzazepine, an organochlorine compound and a tertiary amino compound.
Names & identifiers
- Preferred name
- 7-Chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
- IUPAC
- 8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Names & synonyms
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-olRefChem:914265SCH 233908-chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepin-7-ol[3H]-SCH2339095191-55-28-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-olSCH23390Sch 23388R-(+)-SCH-23390[3H]SCH-23390GTPL943
Show more names
GTPL946CHEMBL13668SCHEMBL5722114SCHEMBL29431888BDBM86180CHEBI:73297DTXSID60873373GOTMKOSCLKVOGG-UHFFFAOYSA-N
Database identifiers
- CAS
95191-55-2- PubChem CID
- 5018
- DTXSID
DTXSID60873373- ChEMBL
CHEMBL13668- ChEBI
CHEBI:73297- Nikkaji
- J1.172.767K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
1 records
Compound notes
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