Chemical Entities of Biological Interest Ontology

Last uploaded: December 1, 2024
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Preferred Name

alendronate sodium trihydrate
Synonyms

Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrate

Adronat

Arendal

Fosamax

Alendros

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
charge

0
database_cross_reference

KEGG:D00939

PMID:19539104

PMID:25607347

Wikipedia:Alendronic_acid

DrugBank:DB00630

Reaxys:13434693

CAS:121268-17-5
definition

A hydride that is the trihydrate of alendronate sodium
formula

C4H18NNaO10P2

C4H12NO7P2.3H2O.Na
has part

http://purl.obolibrary.org/obo/CHEBI_50647
has role

http://purl.obolibrary.org/obo/CHEBI_50646

http://purl.obolibrary.org/obo/CHEBI_50643
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

Arendal

Fosamax

Alendros
id

CHEBI:2566
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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
treeView

http://purl.obolibrary.org/obo/CHEBI_38700

http://purl.obolibrary.org/obo/CHEBI_35505
subClassOf

http://purl.obolibrary.org/obo/CHEBI_38700

http://purl.obolibrary.org/obo/CHEBI_35505
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