Basic information
- CAS
62724-32-7- Standard SMILES
NCCCN1c2ccccc2CCc2ccc(Cl)cc21- InChIKey
LHDZEFLZJRLKPT-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.1236763
Names & identifiers
- Preferred name
- Didemethylclomipramine
- IUPAC
- 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
- English name
- didemethylclomipramine
- Molecular formula
- C17H19ClN2
- Molecular weight
- 286.8
Names & synonyms
Didemethylclomipramine62724-32-7N-Didemthyl-chlorimipramine8R3702101DDTXSID702118085H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-RefChem:920129DTXCID601342993-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propan-1-amineN,N-DidemethylchlorimipramineDidesmethylclomipramine
Show more names
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amineUNII-8R3702101DN-DidesmethylclomipramineDidesmethyl Clomipramine D4CHEMBL3612724SCHEMBL14707047SCHEMBL29485936MCA72432
Database identifiers
- CAS
62724-32-7- PubChem CID
- 3085253
- DTXSID
DTXSID70211808- ChEMBL
CHEMBL3612724- UNII
- 8R3702101D
- Nikkaji
- J523.855B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Clomipramine
Physicochemical properties
- FDA UNII
- 8 R3702101D · 8R3702101D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-Didesmethylclomipramine is a known human metabolite of N-Desmethylclomipramine.
Applications
UsesN,N-Didemethylchlorimipramine is the metabolite of Clomipramine Hydrochloride (C587050), which is a Serotonin reuptake inhibitor, antidepressant, and antiobsessional agent.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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