Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 18:19:00 UTC |
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Update Date | 2016-11-09 01:17:25 UTC |
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Accession Number | CHEM022066 |
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Identification |
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Common Name | Midodrine |
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Class | Small Molecule |
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Description | An aromatic ether that is 1,4-dimethoxybenzene which is substituted at position 2 by a 2-(glycylamino)-1-hydroxyethyl group. A direct-acting sympathomimetic with selective alpha-adrenergic agonist activity, it is used (generally as its hydrochloride salt) as a peripheral vasoconstrictor in the treatment of certain hypotensive states. The main active moiety is its major metabolite, deglymidodrine. |
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Contaminant Sources | - HMDB Contaminants - Urine
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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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(+-)-2-Amino-N-(beta-hydroxy-2,5-dimethoxyphenethyl)acetamide | ChEBI | 1-(2',5'-Dimethoxyphenyl)-2-glycinamidoethanol | ChEBI | 2-Amino-N-(2,5-dimethoxy-beta-hydroxyphenethyl)acetamide | ChEBI | DL-N1-(beta-Hydroxy-2,5-dimethoxyphenethyl)glycinamid | ChEBI | Midodrina | ChEBI | Midodrinum | ChEBI | (+-)-2-Amino-N-(b-hydroxy-2,5-dimethoxyphenethyl)acetamide | Generator | (+-)-2-Amino-N-(β-hydroxy-2,5-dimethoxyphenethyl)acetamide | Generator | 2-Amino-N-(2,5-dimethoxy-b-hydroxyphenethyl)acetamide | Generator | 2-Amino-N-(2,5-dimethoxy-β-hydroxyphenethyl)acetamide | Generator | DL-N1-(b-Hydroxy-2,5-dimethoxyphenethyl)glycinamid | Generator | DL-N1-(Β-hydroxy-2,5-dimethoxyphenethyl)glycinamid | Generator | Midodrin | HMDB | Midodrine HCL | HMDB | Midodrine hydrochloride | HMDB | Amatine | HMDB | Cahill may roberts brand OF midodrine monohydrochloride | HMDB | Nycomed brand OF midodrine monohydrochloride | HMDB | Christiaens brand OF midodrine monohydrochloride | HMDB | Monohydrochloride, midodrine | HMDB | ProAmatine | HMDB | Shire brand OF midodrine monohydrochloride | HMDB | Midodrine monohydrochloride | HMDB | Gutron | HMDB | Midon | HMDB |
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Chemical Formula | C12H18N2O4 |
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Average Molecular Mass | 254.282 g/mol |
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Monoisotopic Mass | 254.127 g/mol |
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CAS Registry Number | 133163-28-7 |
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IUPAC Name | 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide |
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Traditional Name | midodrine |
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SMILES | COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1 |
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InChI Identifier | InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16) |
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InChI Key | PTKSEFOSCHHMPD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
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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 | Methoxybenzenes |
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Direct Parent | Dimethoxybenzenes |
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Alternative Parents | |
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Substituents | - P-dimethoxybenzene
- Dimethoxybenzene
- Phenoxy compound
- Anisole
- Phenol ether
- Alkyl aryl ether
- Secondary alcohol
- Carboximidic acid
- Carboximidic acid derivative
- Ether
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Organic nitrogen compound
- Alcohol
- Primary amine
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxygen compound
- 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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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0019-9420000000-7d9c097f5836b8a5fae7 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0udi-2901000000-dca22bfb649bee6445c3 | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a59-5590000000-c1d7a0986ff760045ce1 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000t-3900000000-e616153c52e6dab85f03 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05o0-6900000000-90bdd17739520c368242 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-2290000000-2b1a688c778f1a3b4f73 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0fki-9780000000-3ec6e31d870a13fc1277 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0596-9510000000-f2530e4ed2f894325b44 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0290000000-be85220bae16e2ca879f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-1910000000-846cb5ab8c2f374a839a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0540-9600000000-457f0b777313d983dbcd | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-3290000000-bba27a0b4e7c20b0735e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9600000000-75c1caa8420dbc10acec | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pi3-5920000000-8736da98df9e10c5809c | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | 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 | DB00211 |
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HMDB ID | HMDB0014356 |
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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 | Midodrine |
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Chemspider ID | 4050 |
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ChEBI ID | 6933 |
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PubChem Compound ID | 4195 |
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Kegg Compound ID | C07890 |
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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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