2-Hydroxyclomipramine
Basic information
- CAS
61523-75-9- Standard SMILES
CN(C)CCCN1c2ccccc2CCc2cc(O)c(Cl)cc21- InChIKey
QXZNSJJZRXNDJQ-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1498911
Names & identifiers
- Preferred name
- 2-Hydroxyclomipramine
- IUPAC
- 2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Names & synonyms
2-Hydroxyclomipramine3-Chloro-2-hydroxyimipramine2-Hydroxychlorimipramine61523-75-9UNII-DO196516G9DO196516G95H-Dibenz(b,f)azepin-2-ol, 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-RefChem:87510DTXSID701344056LCA52375NS00116510Q27276499
Database identifiers
- CAS
61523-75-9- PubChem CID
- 10246110
- DTXSID
DTXSID701344056- UNII
- DO196516G9
- Nikkaji
- J523.857I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Clomipramine
Chemistry & industry
Pharmacology
Metabolism/Metabolites2-hydroxy-clomipramine is a known human metabolite of clomipramine.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysClomipramine Metabolism Pathway
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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