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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | alendronate sodium trihydrate | |
| Synonyms |
Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate Adronat Alendros Arendal Fosamax sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate |
|
| Definitions |
A hydride that is the trihydrate of alendronate sodium |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2566 |
|
| alternative label |
Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate Adronat Alendros Arendal Fosamax sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate
|
|
| charge |
0
|
|
| database_cross_reference |
PMID:19539104 DrugBank:DB00630 Wikipedia:Alendronic_acid Reaxys:13434693 KEGG:D00939 PMID:25607347 CAS:121268-17-5
|
|
| definition |
A hydride that is the trihydrate of alendronate sodium
|
|
| formula |
C4H18NNaO10P2 C4H12NO7P2.3H2O.Na
|
|
| has characteristic | ||
| has part | ||
| has role | ||
| has_exact_synonym |
sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate Adronat Alendros Arendal Fosamax
|
|
| has_RxCUI |
46041
|
|
| id |
CHEBI:2566
|
|
| in_subset | ||
| inchi |
InChI=1S/C4H13NO7P2.Na.3H2O/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);;3*1H2/q;+1;;;/p-1
|
|
| inchikey |
DCSBSVSZJRSITC-UHFFFAOYSA-M
|
|
| label |
alendronate sodium trihydrate
|
|
| mass |
325.12370
|
|
| monoisotopicmass |
325.03036
|
|
| notation |
CHEBI:2566
|
|
| prefLabel |
alendronate sodium trihydrate
|
|
| smiles |
O.O.O.[Na+].NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
|
|
| subClassOf |
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|---|---|---|---|---|
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| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_2566 | CHEBI | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_2566 | BERO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_2566 | BIOMODELS | SAME_URI |
| http://purl.bioontology.org/ontology/SNOMEDCT/1217581008 | SNOMEDCT | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_2566 | CHEBI | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_2566 | BERO | LOOM |