Aprindine (CHEM022309)

Record Information
Version1.0
Creation Date2016-05-25 18:27:42 UTC
Update Date2026-08-21 22:53:06 UTC
Accession NumberCHEM022309
Identification
Common NameAprindine
ClassSmall Molecule
Description
Aprindine is a cardiac depressant used in arrhythmias.
Contaminant Sources
  • HMDB Contaminants - Urine
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Compound 99170HMDB
AprindinHMDB
AprinidineHMDB
Christiaens brand OF aprindine hydrochlorideHMDB
FiboranHMDB
Nycomed brand OF aprindine hydrochlorideHMDB
AmidonalHMDB
PCR Brand OF aprindine hydrochlorideHMDB
Chemical FormulaC22H30N2
Average Molecular Mass322.487 g/mol
Monoisotopic Mass322.241 g/mol
CAS Registry Number37640-71-4
IUPAC NameN-[3-(diethylamino)propyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
Traditional NameN-[3-(diethylamino)propyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESCCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1
InChI IdentifierInChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
InChI KeyNZLBHDRPUJLHCE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassIndanes
Sub ClassNot Available
Direct ParentIndanes
Alternative Parents
Substituents
  • Indane
  • Aniline or substituted anilines
  • Dialkylarylamine
  • Tertiary aliphatic/aromatic amine
  • Aralkylamine
  • Monocyclic benzene moiety
  • Tertiary aliphatic amine
  • Tertiary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
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 Solubility0.0078 g/LALOGPS
logP5.58ALOGPS
logP4.99ChemAxon
logS-4.6ALOGPS
pKa (Strongest Basic)9.94ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area6.48 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity105.22 m³·mol⁻¹ChemAxon
Polarizability40.02 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
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
External Links
DrugBank IDDB01429
HMDB IDHMDB0015498
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAprindine
Chemspider ID2132
ChEBI ID784872
PubChem Compound ID2218
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References