C2T43Flg0U
Basic information
- CAS
212249-90-6- Standard SMILES
[11CH3]N1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3ccoc23)C1- InChIKey
RUSANBIFMAXXSJ-XNJXNPSASA-N- Molecular formula
- C19H18ClNO2
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1140391
Names & identifiers
- Preferred name
- C2T43Flg0U
- IUPAC
- (5S)-5-(1-benzofuran-7-yl)-8-chloro-3-(111C)methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Names & synonyms
C2T43FLG0UMOLI000352212249-90-6[11C]NNC 112NNC-112 C-11(11C)-NNC-112(+)-(11C)NNC 112(+)-8-Chloro-5-(7-benzofuranyl)-7-hydroxy-3-[11C]methyl-2,3,4,5-tetrahydro-1H-3-benzazepine1H-3-BENZAZEPIN-7-OL, 5-(7-BENZOFURANYL)-8-CHLORO-2,3,4,5-TETRAHYDRO-3-(METHYL-11C)-, (5S)-8-CHLORO-7-HYDROXY-3-METHYL-5-(BENZOFURAN-7-YL)-2,3,4,5-1H-BENZAZEPINE, C-11, D-
Database identifiers
- CAS
212249-90-6- PubChem CID
- 449975
- UNII
- C2T43FLG0U
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 36.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
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