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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB001743 |
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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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| Average Molecular Weight: |
95.09 |
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| Monoisotopic Molecular
Weight: |
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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Taxonomy Description | This compound 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
- Phenylacetate
- Phenol ester
- Benzoate ester
- Aminobenzoic acid or derivatives
- Benzoic acid or derivatives
- Benzoyl
- Benzenoid
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Tertiary carboxylic acid amide
- Tertiary amine
- Guanidine
- Carboxylic acid ester
- Carboxamide group
- Carboximidamide
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Carbonyl group
- Amine
- 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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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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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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