| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 07:29:27 UTC |
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| Update Date | 2016-11-09 01:16:17 UTC |
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| Accession Number | CHEM020844 |
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| Identification |
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| Common Name | Cinnamedrine |
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| Class | Small Molecule |
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| Description | Cinnamedrine (INN, USAN), also known as N-cinnamylephedrine, is a sympathomimetic drug with similar effects relative to those of ephedrine. It also has some local anesthetic activity. Cinnamedrine was previously used, in combination with analgesics, as an antispasmodic to treat dysmenorrhea in the over-the-counter drug Midol in the 1980s. There is a case report of the drug being abused as a psychostimulant. |
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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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| Cinnamedrine hydrochloride, (S-(r*,s*))-isomer | MeSH | | Cinnamedrine hydrochloride, ((r*,s*)-(+-))-isomer | MeSH | | alpha-(1-(Cinnamylmethylamino)ethyl)benzyl alcohol | MeSH | | Cinnamedrine | MeSH |
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| Chemical Formula | C19H23NO |
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| Average Molecular Mass | 281.399 g/mol |
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| Monoisotopic Mass | 281.178 g/mol |
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| CAS Registry Number | 90-86-8 |
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| IUPAC Name | 2-{methyl[(2E)-3-phenylprop-2-en-1-yl]amino}-1-phenylpropan-1-ol |
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| Traditional Name | cinnamedrine |
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| SMILES | [H]\C(CN(C)C(C)C(O)C1=CC=CC=C1)=C(\[H])C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+ |
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| InChI Key | YMJMZFPZRVMNCH-FMIVXFBMSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
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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 | Phenylpropanes |
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| Direct Parent | Phenylpropanes |
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| Alternative Parents | |
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| Substituents | - Phenylpropane
- Styrene
- Aralkylamine
- 1,2-aminoalcohol
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Organopnictogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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 | splash10-03e9-0290000000-d1e24520a6884ca14f4c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-044i-1940000000-c8b92e56f9b6fc99d268 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-066r-7900000000-86b8cbb782f7628fd1b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0190000000-05988c0c928de4df48a5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03ea-0970000000-09bae86de10b341799a1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-4900000000-01c31033fb3ecbe6c993 | 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 | Not Available |
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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 | Cinnamedrine |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 5370611 |
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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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