sucralfate

Ligand id: 7055

Name: sucralfate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 51
Hydrogen bond donors 16
Rotatable bonds 36
Topological polar surface area 839.21
Molecular weight 1447.59
XLogP -18.41
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
[({[(2S,3R,4S,5R,6R)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2R,3S,4S,5R)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol
International Nonproprietary Names
INN number INN
2723 sucralfate
Synonyms
Antepsin® | Carafate®
Database Links
CAS Registry No. 54182-58-0 (source: Scifinder)
DrugBank Ligand DB00364
PubChem CID 70789197
Search Google for chemical match using the InChIKey MNQYNQBOVCBZIQ-JQOFMKNESA-A
Search Google for chemicals with the same backbone MNQYNQBOVCBZIQ
Search PubMed clinical trials sucralfate
Search PubMed titles sucralfate
Search PubMed titles/abstracts sucralfate
Search UniChem for chemical match using the InChIKey MNQYNQBOVCBZIQ-JQOFMKNESA-A
Search UniChem for chemicals with the same backbone MNQYNQBOVCBZIQ
Wikipedia Sucralfate
Comments
Sucralfate is a complex of sucrose, sulfate and aluminum which is basic in nature and has an overall negative charge.

Note that this is a complicated chemical complex. Different chemical databases represent this compound in different ways, all of which are valid. The ChEMBL compound is represented by the entry CHEMBL2367706, with separate aluminium hydroxide ions, whereas the structure we show has these ions in association with the sulphites on the core disaccharide sugar. PubChem CID 70789197 also represents the aluminium hydroxide groups in a different way.