Lofepramine Hydrochloride
Basic information
- CAS
26786-32-3- Standard SMILES
CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1.Cl- InChIKey
ZWZIQPOLMDPIQM-UHFFFAOYSA-N- Molecular formula
- C26H28Cl2N2O
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.1578689
Overview
Lofepramine hydrochloride is a hydrochloride. It has a role as an antidepressant. It contains a lofepramine.
Names & identifiers
- Preferred name
- Lofepramine Hydrochloride
- IUPAC
- 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone;hydrochloride
- English name
- Lofepramine hydrochloride
- Molecular formula
- C26H28Cl2N2O
- Molecular weight
- 455.42
Names & synonyms
lofepramine hydrochloride26786-32-3Lofepramine HClClopepramine hydrochlorideAmplitDTXSID9047833WHR-2908A4'-Chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)acetophenone monohydrochlorideZ24K96F991DTXCID5027809CHEBI:31780Ethanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-, monohydrochloride
Show more names
db-2182WHR 2908Aropylaminehclacetophenonehclleo640hydrochloridelopraminehydrochlorideiopraminehydrochlorideclopepraminehydrochloride
RefChem:800018Hydrochloride, Lofepramine248-002-24'-Chloro-2-((3-(10,11-Dihydro-5H-Dibenz(b, f)azepin-5-yl)Propyl)Methylamino)acetophenone MonohydrochlorideEthanone, 1-(4-Chlorophenyl)-2-((3-(10,11-Dihydro-5H-Dibenz(b, f)azepin-5-yl)Propyl)Methylamino)-, MonohydrochlorideEthanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-, hydrochloride (1:1)LOFEPRAMINEHYDROCHLORIDELofepramine (hydrochloride)
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Melting point
- 152 · 152-154°
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 24 mg/mL · DMSO: ~24 mg/mL
- form
- solid
- color
- off-white
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H
- InChIKey
- ZWZIQPOLMDPIQM-UHFFFAOYSA-N
- SMILES
- Cl[H].CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4
- FDA UNII
- 24 K96F991 · Z24K96F991
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H290-H301+H311+H331-H370
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Ethanone, 1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]-, monohydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- wgk
- 2
- rtecs
- AM6485000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- Toxicity
- LD50 in mice, rats (mg/kg): >2500, >1000 orally; 920, >1000 i.p.; >1000, >1000 s.c. (Eriksoo, Rohte)
- risk_code
- 22-37-53
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS08
- hazard_code
- Xn
- safety_code
- 22-24/25-26-28-36/37/39-38
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H290-H301+H311+H331-H370
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.
Applications
UsesMonoamine reuptake inhibitor; tricyclic antidepressant.
UsesLofepramine Hydrochloride is a tricyclic anti-depressent drug. Potent inhibitor of noradenaline uptake.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Lofepramine hydrochloride is a hydrochloride. It has a role as an antidepressant. It contains a lofepramine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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