7-Chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Basic information
- CAS
131567-14-1- Standard SMILES
CN1CCc2cc(Cl)c(O)cc2C(c2cccc(I)c2)C1- InChIKey
DUTJKDUWCSYNLM-UHFFFAOYSA-N- Molecular formula
- C17H17ClINO
- Average molar mass
- 413.7 g/mol
- Monoisotopic mass
- 413.00434
Overview
high affinity & selective iodinated ligand for CNS D1 dopamine receptor; RN given refes to (+-)-isomer; RN for cpd without isomeric designation not avail 4/91
Names & identifiers
- Preferred name
- 7-Chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 8-chloro-5-(3-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
- English name
- 7-chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- Molecular formula
- C17H17ClINO
- Molecular weight
- 413.68
Names & synonyms
4KO50R43BQ131567-14-17-Chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineRefChem:914276TISCHUNII-4KO50R43BQCHEMBL172352DTXSID40927267TISCH, (+/-)-1H-3-BENZAZEPIN-7-OL, 8-CHLORO-2,3,4,5-TETRAHYDRO-5-(3-IODOPHENYL)-3-METHYL-1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (+-)-8-CHLORO-2,3,4,5-TETRAHYDRO-5-(3-IODOPHENYL)-3-METHYL-1H-3-BENZAZEPIN-7-OL
Show more names
8-Chloro-5-(3-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol(+/-)-7-CHLOR0-8- HYDROXY-1-(3'-IODOPHENYL)-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE
Database identifiers
- CAS
131567-14-1- PubChem CID
- 125486
- DTXSID
DTXSID40927267
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- FDA UNII
- 4 KO50R43BQ · 4KO50R43BQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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