| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:10:22 UTC |
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| Update Date | 2016-11-09 01:15:47 UTC |
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| Accession Number | CHEM018345 |
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| Identification |
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| Common Name | Carteolol hydrochloride |
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| Class | Small Molecule |
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| Description | |
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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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| 5-(2-Hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride | ChEBI | | 5-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone hydrochloride | ChEBI | | 5-(3-(Tert-butylamino)-2-hydroxypropoxy)-3,4-dihydrocarbostyril monohydrochloride | ChEBI | | 5-(3-Tert-butylamino-2-hydroxy-propoxy)-3,4-dihydro-2(1H)-chinolinon-hydrochlorid | ChEBI | | Carteolol HCL | ChEBI | | N-Tert-butyl-2-hydroxy-3-[(2-oxo-1,2,3,4-tetrahydroquinolin-5-yl)oxy]propan-1-aminium chloride | ChEBI | | Cartrol | Kegg | | Ocupress | Kegg | | Monohydrochloride, carteolol | MeSH | | Hydrochloride, carteolol | MeSH | | Carteolol | MeSH | | Carteolol monohydrochloride | MeSH |
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| Chemical Formula | C16H25ClN2O3 |
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| Average Molecular Mass | 328.834 g/mol |
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| Monoisotopic Mass | 328.155 g/mol |
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| CAS Registry Number | 51781-21-6 |
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| IUPAC Name | 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2-ol hydrochloride |
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| Traditional Name | carteolol (product) hydrochloride |
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| SMILES | Cl.CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(O)=N2 |
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| InChI Identifier | InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H |
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| InChI Key | FYBXRCFPOTXTJF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | Quinolones and derivatives |
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| Direct Parent | Hydroquinolones |
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| Alternative Parents | |
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| Substituents | - Tetrahydroquinolone
- Tetrahydroquinoline
- Alkyl aryl ether
- Benzenoid
- 1,2-aminoalcohol
- Amino acid or derivatives
- Carboxamide group
- Lactam
- Secondary alcohol
- Secondary carboxylic acid amide
- Azacycle
- Secondary amine
- Carboxylic acid derivative
- Secondary aliphatic amine
- Ether
- Hydrocarbon derivative
- Organic oxygen compound
- Organopnictogen compound
- Amine
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Organooxygen compound
- Organic oxide
- Hydrochloride
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0009000000-2fb4c290b49fcea5e725 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0009000000-2fb4c290b49fcea5e725 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-0009000000-2fb4c290b49fcea5e725 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0009000000-97d62664c4b90e203d46 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0009000000-97d62664c4b90e203d46 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0009000000-97d62664c4b90e203d46 | 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 | DBSALT000319 |
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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 | Carteolol |
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| Chemspider ID | Not Available |
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| ChEBI ID | 3438 |
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| PubChem Compound ID | 40127 |
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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 | Not Available |
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