Minaprine (CHEM022187)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-25 18:23:04 UTC
Update Date2016-11-09 01:17:26 UTC
Accession NumberCHEM022187
Identification
Common NameMinaprine
ClassSmall Molecule
DescriptionMinaprine is a psychotropic drug which has proved to be effective in the treatment of various depressive states. Like most antidepressants minaprine antagonizes behavioral despair. Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain.
Contaminant Sources
  • HMDB Contaminants - Urine
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholineChEBI
4-Methyl-3-(2-morpholinoethylamino)-6-phenylpyridazinChEBI
MinaprinaChEBI
MinaprinumChEBI
N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamineChEBI
CantorKegg
3-(Morpholinoethyl)amino-4-methyl-6-phenylpyridazineHMDB
Minaprine dihydrochlorideHMDB
3-(2-Morpholino-ethylamino)-4-methyl-6-phenyl pyridazine, dihydrochlorideHMDB
MINAPRINE hydrochlorideHMDB
Chemical FormulaC17H22N4O
Average Molecular Mass298.383 g/mol
Monoisotopic Mass298.179 g/mol
CAS Registry Number25905-77-5
IUPAC Name4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine
Traditional Nameminaprine
SMILESCC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1
InChI IdentifierInChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChI KeyLDMWSLGGVTVJPG-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyridazines and derivatives
Direct ParentPhenylpyridazines
Alternative Parents
Substituents
  • Phenylpyridazine
  • Imidolactam
  • Benzenoid
  • Oxazinane
  • Morpholine
  • Monocyclic benzene moiety
  • Heteroaromatic compound
  • Tertiary aliphatic amine
  • Tertiary amine
  • Oxacycle
  • Azacycle
  • Ether
  • Dialkyl ether
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.07 g/LALOGPS
logP2.15ALOGPS
logP2.19ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)19.25ChemAxon
pKa (Strongest Basic)6.28ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area50.28 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity91.17 m³·mol⁻¹ChemAxon
Polarizability33.82 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0uds-7950000000-d5d6a90ec878b84d8656Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01ot-0390000000-9738c44f8e588388c452Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0950000000-d3356e07a972e95a28beSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01p9-9700000000-020e74ff7f531306c94dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-1390000000-b7b5ed826ec7c0c9a3ffSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0007-2930000000-a1817395beedfdf562a7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-8920000000-d33c0ded2360f772d1e3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-1601373600bf26db83d2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dj-0290000000-7b731ca9adbace1a0a22Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-4960000000-0f1b65982977f12661ccSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0090000000-524104d6853e23d834e0Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0390000000-bb5d2f3e88efabaf8ff6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001j-1930000000-ce10f5b73520e9ca3c16Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB00805
HMDB IDHMDB0014943
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMinaprine
Chemspider ID4054
ChEBI ID51038
PubChem Compound ID4199
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available