| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:31 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000614 |
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| FoodDB Record | FDB022771 |
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| Chemical Information |
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| Name | 3-Aminosalicylic acid |
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| Description | 3-Aminosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug. [HMDB] |
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| CAS Number | 570-23-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Amino Salicylate | hmdb | | 3-Amino Salicylic acid | hmdb | | 3-amino-(8CI)salicylate | hmdb | | 3-amino-(8CI)salicylic acid | hmdb | | 3-amino-2-hydroxy-(9CI)benzoate | hmdb | | 3-amino-2-hydroxy-(9CI)benzoic acid | hmdb | | 3-amino-2-hydroxy-benzoate | hmdb | | 3-amino-2-hydroxy-benzoic acid | hmdb | | 3-Amino-2-hydroxybenzoate | hmdb | | 3-Amino-2-hydroxybenzoic acid | hmdb | | 3-amino-salicylate | hmdb | | 3-amino-salicylic acid | hmdb | | 3-Aminosalicylate | hmdb | | Desacetyleupaserrin | hmdb | | Parasal | hmdb | | Paser | hmdb |
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| Chemical Formula | C7H7NO3 |
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| IUPAC name | 3-amino-2-hydroxybenzoic acid |
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| InChI Identifier | InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11) |
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| InChI Key | IQGMRVWUTCYCST-UHFFFAOYSA-N |
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| Isomeric SMILES | NC1=CC=CC(C(O)=O)=C1O |
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| Average Molecular Weight | 153.1354 |
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| Monoisotopic Molecular Weight | 153.042593095 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aminosalicylic acids. These are salicylic acids carrying an amino group on the benzene ring. |
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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 | Benzoic acids and derivatives |
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| Direct Parent | Aminosalicylic acids |
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| Alternative Parents | |
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| Substituents | - 3-aminosalicylic acid
- Aminosalicylic acid
- Salicylic acid
- Aminobenzoic acid or derivatives
- Aminobenzoic acid
- Benzoic acid
- Aniline or substituted anilines
- O-aminophenol
- Aminophenol
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- Phenol
- Vinylogous acid
- Amino acid
- Amino acid or derivatives
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- 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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 50 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | X8030 |
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| Toronto Research Chemicals | A629260 |
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