| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:19 UTC |
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| Update date | 2017-01-19 02:36:28 UTC |
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| FoodComEx ID | PC000566 |
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| FoodDB Record | FDB022734 |
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| Chemical Information |
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| Name | Alendronic acid |
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| Description | Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). [HMDB] |
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| CAS Number | 66376-36-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (4-amino-1-Hydroxybutylidene)bisonate | Generator | | (4-amino-1-Hydroxybutylidene)bisonic acid | ChEBI | | Acide alendronique | ChEBI | | Acido alendronico | ChEBI | | Acidum alendronicum | ChEBI | | Alendronate | hmdb | | Alendronate Sodium | hmdb | | Alendronate sodium hydrate | hmdb | | Alendronic acid | hmdb | | Fosamax | hmdb |
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| Chemical Formula | C4H13NO7P2 |
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| IUPAC name | (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid |
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| InChI Identifier | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) |
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| InChI Key | OGSPWJRAVKPPFI-UHFFFAOYSA-N |
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| Isomeric SMILES | NCCCC(O)(P(O)(O)=O)P(O)(O)=O |
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| Average Molecular Weight | 249.096 |
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| Monoisotopic Molecular Weight | 249.016724799 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic phosphonic acids and derivatives |
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| Sub Class | Bisphosphonates |
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| Direct Parent | Bisphosphonates |
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| Alternative Parents | |
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| Substituents | - Bisphosphonate
- Organophosphonic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organophosphorus compound
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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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 5 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 | A528 |
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| AKSci | J10298 |
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| AKSci | J40136 |
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| Toronto Research Chemicals | A521263 |
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