Basic information
- CAS
315-80-0- Standard SMILES
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21- InChIKey
QPGGEKPRGVJKQB-UHFFFAOYSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Overview
5-[2-(dimethylamino)ethyl]-11-methyl-6-benzo[b][1,4]benzodiazepinone is a dibenzodiazepine.
Names & identifiers
- Preferred name
- Dibenzepin
- IUPAC
- 5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one
- English name
- Dibenzepin
- Molecular formula
- C18H21N3O
- Molecular weight
- 295.38
Names & synonyms
Dibenzepin4498-32-2DibenzepinaDibenzepinum510SJZ1Y6L5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-oneDTXSID702291611H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-11H-Dibenzo(b,e)(1,4)diazepin-11-one, 10-(2-(dimethylamino)ethyl)-5,10-dihydro-5-methyl-5-(2-(dimethylamino)ethyl)-11-methylbenzo(b)(1,4)benzodiazepin-6-oneRefChem:132799DTXCID702916
Show more names
HF 19274498-32-125-(2-dimethylaminoethyl)-11-methylbenzo[b][1,4]benzodiazepin-6-one5-(2-dimethylaminoethyl)-11-methyl-benzo[b][1,4]benzodiazepin-6-one5-Methyl-10-dimethylaminoethyl-10,11-dihydro-11-oxodibenzo[b,e][1,4]diazepine5-Methyl-10-[2-(dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one10,11-Dihydro-5-methyl-10-[2-(dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepin-11-one10,11-Dihydro-10-[2-(dimethylamino)ethyl]-5-methyl-5H-dibenzo[b,e][1,4]diazepin-11-one
N06AA08Dibenzepine10-[2-(Dimethylamino)ethyl]-5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-oneDibenzepin (INN)10-(2-(Dimethylamino)ethyl)-5-methyl-5H-dibenzo(b,e)(1,4)diazepin-11(10H)-one5,10-Dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-11H-dibenzo(b,e)(1,4)diazepin-11-one5H-Dibenzo(b,e)(1,4)diazepin-11(10H)-one, 10-(2-(dimethylamino)ethyl)-5-methyl-DIBENZEPIN [INN]
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
LogP2.6
Human DrugsPharmaceuticals
Dissociation Constants8.275
Physicochemical properties
- Melting point
- 116 · 116-117°C
- Boiling point
- 0.01 · bp0.01 185°
- Density
- 1.119 · 1.1190 (rough estimate)
- refractive index
- 1.5855 · 1.5855 (estimate)
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- pka
- 8.25 · 8.25(at 25℃)
- form
- Solid
- color
- Light Beige to Brown
- CAS DataBase Reference
- 4498 · 4498-32-2
- FDA UNII
- 510 SJZ1Y6L · 510SJZ1Y6L
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
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
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.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesAntidepressant
Upstream & downstream products
Upstream raw materials
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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