| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 07:09:22 UTC |
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| Update Date | 2016-11-09 01:16:13 UTC |
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| Accession Number | CHEM020495 |
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| Identification |
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| Common Name | Procainamide hydrochloride |
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| Class | Small Molecule |
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| Description | A hydrochloride which has procainamide as the amino component. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| PA | ChEBI | | Procamide | ChEBI | | Procan | ChEBI | | Procanbid | ChEBI | | Procapan | ChEBI | | Pronestyl | ChEBI | | Procan SR | Kegg | | Amide, procaine | MeSH | | Apo-procainamide | MeSH | | Procainamide | MeSH | | Rhythmin | MeSH | | Procaine amide | MeSH | | Hydrochloride, procainamide | MeSH | | Novocainamide | MeSH | | Biocoryl | MeSH | | Novocamid | MeSH | | Apothecon brand OF procainamide hydrochloride | MeSH | | Bristol-myers squibb brand OF procainamide hydrochloride | MeSH | | Monarch brand OF procainamide hydrochloride | MeSH | | Parke davis brand OF procainamide hydrochloride | MeSH | | Pfizer brand OF procainamide hydrochloride | MeSH | | Sidmark brand OF procainamide hydrochloride | MeSH | | Apotex brand OF procainamide hydrochloride | MeSH | | Uriach brand OF procainamide hydrochloride | MeSH |
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| Chemical Formula | C13H22ClN3O |
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| Average Molecular Mass | 271.786 g/mol |
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| Monoisotopic Mass | 271.145 g/mol |
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| CAS Registry Number | 614-39-1 |
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| IUPAC Name | 4-amino-N-[2-(diethylamino)ethyl]benzamide hydrochloride |
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| Traditional Name | procainamide hydrochloride |
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| SMILES | Cl.CCN(CC)CCNC(=O)C1=CC=C(N)C=C1 |
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| InChI Identifier | InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H |
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| InChI Key | ABTXGJFUQRCPNH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Aminobenzamides |
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| Alternative Parents | |
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| Substituents | - Aminobenzamide
- Benzamide
- Benzoyl
- Aniline or substituted anilines
- Carboxamide group
- Amino acid or derivatives
- Tertiary aliphatic amine
- Tertiary amine
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Hydrochloride
- Hydrocarbon derivative
- Amine
- Organic oxygen compound
- Organic nitrogen compound
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-qTof , Positive | splash10-03ms-2910000000-60bf965b7bd037eecac2 | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-0229-4900000000-f0bea1fa795e43eb06f6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0090000000-131a64c52e4abe0957e2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00di-0090000000-131a64c52e4abe0957e2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00di-0090000000-131a64c52e4abe0957e2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0090000000-3d07600833b6b34406f6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0090000000-3d07600833b6b34406f6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-0090000000-3d07600833b6b34406f6 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DBSALT000724 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Procainamide |
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| Chemspider ID | Not Available |
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| ChEBI ID | 8429 |
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| PubChem Compound ID | 66068 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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