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CHEBI:28148 - sodium stibogluconate

ChEBI IDCHEBI:28148
ChEBI Namesodium stibogluconate
Stars
DefinitionA D-gluconate adduct of indefinite composition containing between 30 and 34% of antimony(V), calculated with reference to dried and methanol-free substance. It is used as a treatment for leishmaniasis.
Secondary ChEBI IDsCHEBI:9181, CHEBI:26716
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H17O17Sb2.9H2O.3Na
Net Charge0
Average Mass907.876
Monoisotopic Mass905.91860
SMILESO.O.O.O.O.O.O.O.O.[H][C@]1([C@H](O)CO)[O][Sb]2([O-])([O][Sb]34([OH])[O][C@@H](C(=O)[O-])[C@@]([H])([O]3)[C@@]([H])([C@H](O)CO)[O]4)[O][C@@H](C(=O)[O-])[C@@]1([H])[O]2.[Na+].[Na+].[Na+]
InChIInChI=1S/2C6H9O7.3Na.10H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;10*1H2;;;;/q2*-3;3*+1;;;;;;;;;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1
InChIKeyYQDGWZZYGYKDLR-UZVLBLASSA-K
Roles Classification
Biological Role:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
ChEBI Ontology
Outgoing Relation(s)
sodium stibogluconate (CHEBI:28148) has role antileishmanial agent (CHEBI:70868)
sodium stibogluconate (CHEBI:28148) has role antineoplastic agent (CHEBI:35610)
sodium stibogluconate (CHEBI:28148) is a D-gluconate adduct (CHEBI:20984)
IUPAC Name 
trisodium 1-{[3-carboxylato-5-(1,2-dihydroxyethyl)-1-hydroxy-2,6,7-trioxa-1λ5-stibabicyclo[2.2.1]hept-1-yl]oxy}-5-(1,2-dihydroxyethyl)-1-oxido-2,6,7-trioxa-1λ5-stibabicyclo[2.2.1]heptane-3-carboxylate—water (1/9)
INNs  Source
sodium stibogluconateChemIDplus
stibogluconate de sodiumChemIDplus
estibogluconato sodicoChemIDplus
natrii stibogluconasChemIDplus
Synonyms  Source
trisodium 1-{[3-carboxylato-5-(1,2-dihydroxyethyl)-1-hydroxy-2,6,7-trioxa-1λ5-stibabicyclo[2.2.1]hept-1-yl]oxy}-5-(1,2-dihydroxyethyl)-1-oxido-2,6,7-trioxa-1λ5-stibabicyclo[2.2.1]heptane-3-carboxylate nonahydrateIUPAC
Sodium stibogluconateKEGG DRUG
Antimony (V) derivative of sodium gluconateChemIDplus
Antimony sodium gluconateChemIDplus
MyostibinChemIDplus
StibanateChemIDplus
Brand Name  Source
PentostamKEGG DRUG
Manual XrefsDatabases
C07638KEGG COMPOUND
D00582KEGG DRUG
DB05630DrugBank
Registry NumbersSources
CAS:16037-91-5KEGG DRUG
CAS:16037-91-5ChemIDplus