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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:49:16 UTC
Update Date2019-07-23 06:35:17 UTC
HMDB IDHMDB0041944
Secondary Accession Numbers
  • HMDB41944
Metabolite Identification
Common NameN-Acetylprocainamide
DescriptionN-Acetylprocainamide, also known as acecainida or NAPA, belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. Based on a literature review a significant number of articles have been published on N-Acetylprocainamide.
Structure
Thumb
Synonyms
ValueSource
4'-((2-(Diethylamino)ethyl)carbamoyl)acetanilideChEBI
AcecainidaChEBI
AcecainideChEBI
AcecainidumChEBI
AcekainidChEBI
N-AcetyloprokainamidChEBI
NAPAChEBI
4-Acetamido-N-[2-(diethylamino)ethyl]benzamideHMDB
Acecainide hydrochlorideHMDB
Acecainide monohydrochlorideHMDB
Monohydrochloride, acecainideHMDB
AcetylprocainamideHMDB
N AcetylprocainamideHMDB
Hydrochloride, acecainideHMDB
Chemical FormulaC15H23N3O2
Average Molecular Weight277.362
Monoisotopic Molecular Weight277.179026995
IUPAC NameN-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)ethanimidic acid
Traditional NameN-(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)ethanimidic acid
CAS Registry Number32795-44-1
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)N=C(C)O
InChI Identifier
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
InChI KeyKEECCEWTUVWFCV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAcylaminobenzoic acid and derivatives
Alternative Parents
Substituents
  • Acylaminobenzoic acid or derivatives
  • Acetanilide
  • Benzamide
  • N-acetylarylamine
  • Anilide
  • Benzoyl
  • N-arylamide
  • Acetamide
  • Amino acid or derivatives
  • Carboxamide group
  • Tertiary aliphatic amine
  • Tertiary amine
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available170.519http://allccs.zhulab.cn/database/detail?ID=AllCCS00000885
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4189
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkN-Acetylprocainamide
METLIN IDNot Available
PubChem Compound4342
PDB IDNot Available
ChEBI ID60728
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available