Detralfate

Base Information

• Chemical Name: Detralfate
• CAS No.: 37209-31-7
• Molecular Formula: C12H22O25S5
• Molecular Weight: 726.61308
• UNII: YD5EC2W2Z5
• Wikidata: Q76279875
• NCI Thesaurus Code: C169890
• Mol file: 37209-31-7.mol

Synonyms:Detralfate;Detralfate [INN];Detralfato [INN-Spanish];Detralfatum;Detralfato;37209-31-7;Detralfatum [INN-Latin];Dextran sulfate sodium aluminium;YD5EC2W2Z5;UNII-YD5EC2W2Z5;(2S,3R,4S,5R,6R)-2-hydroxy-6-((((2S,3R,4S,5R,6R)-5-hydroxy-6-methyl-3,4-bis(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(hydrogen sulfate);[(2S,3R,4S,5R,6R)-2-hydroxy-6-[[(2S,3R,4S,5R,6R)-5-hydroxy-6-methyl-3,4-disulfooxyoxan-2-yl]oxymethyl]-3,5-disulfooxyoxan-4-yl] hydrogen sulfate;AKOS040751534;LS-59529

Chemical Property of Detralfate

Chemical Property:

• PSA: 428.05000
• Density: 2.26g/cm³
• LogP: 0.16990
• XLogP3: -6.2
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 13
• Exact Mass: 725.9053721
• Heavy Atom Count: 42
• Complexity: 1460

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O