Quinupramine
Basic information
- CAS
31721-17-2- Standard SMILES
c1ccc2c(c1)CCc1ccccc1N2C1CN2CCC1CC2- InChIKey
JCBQCKFFSPGEDY-UHFFFAOYSA-N- Molecular formula
- C21H24N2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.19394877
Overview
Quinupramine is a dibenzooxazepine.
Names & identifiers
- Preferred name
- Quinupramine
- IUPAC
- 11-(1-azabicyclo[2.2.2]octan-3-yl)-5,6-dihydrobenzo[b][1]benzazepine
- English name
- quinupramine
- Molecular formula
- C21H24N2
- Molecular weight
- 304.43
Names & synonyms
Quinupramine31721-17-2QuinupraminaQuinupraminum29O61HFF4LDTXSID70865608RefChem:178372DTXCID80814001N06AA232-(1-azabicyclo(2.2.2)octan-3-yl)-2-azatricyclo(9.4.0.0^(3,8))pentadeca-1(15),3,5,7,11,13-hexaene250-780-3Kevopril
Show more names
LM 208KinuprilEinecs 250-780-3Quinupraminum [inn-latin]Quinupramina [inn-spanish]5-(3-Chinuclidinyl)-10,11-dihydro-5H-dibenz(B,F)azepin
11-(1-azabicyclo[2.2.2]octan-3-yl)-5,6-dihydrobenzo[b][1]benzazepineKevopril; Kinupril; LM 208Quinupramine (INN)QUINUPRAMINE [INN]5-(1-Azabicyclo[2.2.2]oct-3-yl)-10,11-dihydro-5H-dibenz[b,f]azepine10,11-Dihydro-5-(3-quinuclidinyl)-5H-dibenz(b,f)azepine2-{1-azabicyclo[2.2.2]octan-3-yl}-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaeneQuinupramine [INN:DCF]
Database identifiers
- CAS
31721-17-2- PubChem CID
- 93154
- DTXSID
DTXSID70865608- ChEMBL
CHEMBL107360- ChEBI
CHEBI:135292- UNII
- 29O61HFF4L
- EC Number
- 250-780-3
- Nikkaji
- J20.064F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 150 ° · 150°
- Boiling point
- 445.2 · 445.2±44.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly, Sonicated)
- form
- Solid
- pka
- 10 · 10.00±0.33(Predicted)
- color
- Brown
- FDA UNII
- 29 O61HFF4L · 29O61HFF4L
- ATC code
- 6 AA23 · N06AA23
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
Applications
UsesQuinupramine is an analog of Imipramine (I465980). Quinupramine is used as an antidepressant.
Additional notes
DefinitionChEBI: Quinupramine is a dibenzooxazepine.
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Related reactions
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Compound notes
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