Basic information
- CAS
315-80-0- Standard SMILES
CN1c2ccccc2C(=O)N(CC[NH+](C)C)c2ccccc21.[Cl-]- InChIKey
RJPZIQRLRMWPRF-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.14514
Overview
See also: Dibenzepin Hydrochloride (preferred); Dibenzepin (has active moiety).
Names & identifiers
- Preferred name
- Dimethyl-[2-(11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride
- IUPAC
- dimethyl-[2-(11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride
- English name
- Dibenzepine HCl
- Molecular formula
- C18H22ClN3O
- Molecular weight
- 331.84
Names & synonyms
DibenzepineecatrilnoverilneodalitAnsiopax)diazepinDibenzepine HCldibenzepinhydrochloridehydrofluoride-1927wanderdibenzepinehydrochloride
Database identifiers
- CAS
315-80-0- PubChem CID
- 9418
Properties
Computed structural properties
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 238 ° · 238°
- pka
- 8.25 · 8.25(at 25℃)
- FDA UNII
- 273 S4Z · JLN0273S4Z
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 332 · H332-H301-H412
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P273-P501-P264-P270-P301+P310-P321-P330-P405-P501
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 orally · LD50 orally in mice: 215 mg/kg (Hunziker)
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
- Toxicity
- LD50 orally in mice: 215 mg/kg (Hunziker)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H332-H301-H412
- Precautionary statements
- P261-P271-P304+P340-P312-P273-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesAntidepressant.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
Additional notes
DefinitionChEBI: Dibenzepin hydrochloride is a dibenzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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