Tisch I-125, (R)-
Basic information
- CAS
139973-85-6- Standard SMILES
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc([125I])c2)C1- InChIKey
DUTJKDUWCSYNLM-LPHVGHPSSA-N- Molecular formula
- C17H17ClINO
- Average molar mass
- 411.7 g/mol
- Monoisotopic mass
- 411.0045
Names & identifiers
- Preferred name
- Tisch I-125, (R)-
- IUPAC
- (5R)-8-chloro-5-(3-(125I)iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Names & synonyms
NNK6M86YXVTisch I-125, (R)-UNII-NNK6M86YXVTisch, R-(+)-(I-125)-1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-(iodo-125I)phenyl)-3-methyl-, (R)-139973-85-6MOLI000116
Database identifiers
- CAS
139973-85-6- PubChem CID
- 449722
- UNII
- NNK6M86YXV
- Nikkaji
- J384.533H
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
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