Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:55:22 -0600 |
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Update Date | 2015-09-17 15:42:08 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Methanesulfonate |
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Description | Mesylate esters are a group of organic compounds that share a common functional group with the general structure CH3SO2O-R, abbreviated MsO-R, where R is an organic substituent. Mesylate is considered an excellent leaving group in nucleophilic substitution reactions. |
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Structure | |
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Synonyms: | - Camostat mesilate
- Camostat mesilic acid
- Camostat mesylate
- Camostat mesylic acid
- Camostat monomethanesulfonate
- Camostat monomethanesulfonic acid
- Camostat monomethanesulphonate
- Camostat monomethanesulphonic acid
- Methanesulfonate
- Methanesulfonic acid
- Methanesulphonate
- Methanesulphonic acid
- Methylsulfonate
- Methylsulfonic acid
- Methylsulphonate
- Methylsulphonic acid
- MSA
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Chemical Formula: | CH3O3S |
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Weight: | Average: 95.09 Monoisotopic: 94.980838711 |
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InChI Key: | AFVFQIVMOAPDHO-UHFFFAOYSA-M |
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InChI: | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1 |
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CAS number: | 59721-29-8 |
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IUPAC Name: | 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate |
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Traditional IUPAC Name: | camostat |
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SMILES: | CS([O-])(=O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Depsides and depsidones |
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Sub Class | Not Available |
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Direct Parent | Depsides and depsidones |
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Alternative Parents | |
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Substituents | - Depside backbone
- Guanidinobenzoic acid or derivatives
- Benzoate ester
- Phenol ester
- Benzoic acid or derivatives
- Phenoxy compound
- Benzoyl
- Monocyclic benzene moiety
- Benzenoid
- Dicarboxylic acid or derivatives
- Tertiary carboxylic acid amide
- Carboxamide group
- Carboxylic acid ester
- Guanidine
- Carboxylic acid derivative
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen 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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Physical Properties |
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State: | Not Available |
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Charge: | 1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | sulfur metabolism (methanesulfonate) | PW000927 | |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-02t9-5980000000-dd72b99dcff9f0731fd9 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4m-0149000000-972d002a862b25b2b321 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zfu-1269000000-51375cd035822d5d10d5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9520000000-ab5a53059418ed6b9cf4 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0m4k-1139000000-e50a3d2b9bc0b0821b8f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-02vj-2394000000-7a259b5895322bf21836 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0017-7590000000-d8e2761e33757111c0c1 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0339000000-d43f0e2ae28e1f28adb9 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ot-1954000000-d59d964dd758a5bb75ae | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01vo-5900000000-fa5f799fa0f85a1118df | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0149000000-f00bf55878d65b180cbd | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ot-1293000000-44d77c9b556e13cdd92a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03ka-2910000000-15aa9f36000f3fe2a97c | View in MoNA |
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References |
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References: | Not Available |
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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