Eritoran

Base Information

• Chemical Name: Eritoran
• CAS No.: 185955-34-4
• Deprecated CAS: 261504-30-7
• Molecular Formula: C66H126N2O19P2
• Molecular Weight: 1313.66
• UNII: 551541VI0Y
• DSSTox Substance ID: DTXSID60873217
• Nikkaji Number: J2.041.121J
• Wikipedia: Eritoran
• Wikidata: Q5389586
• NCI Thesaurus Code: C80053
• Pharos Ligand ID: 26265KQ81MV8,262WGWS37117
• Metabolomics Workbench ID: 65121
• ChEMBL ID: CHEMBL501259
• Mol file: 185955-34-4.mol

Synonyms:3-O-decyl-2-deoxy-6-O-(2-deoxy-3-O-(3-methoxydecyl)-6-O-methyl-2-((1-oxo-11-octadecenyl)amino)-4-O-phosphonoglucopyranosyl)-2-((1,3-dioxotetradecyl)amino)-1-(dihydroxy phosphate)glucopyranose;eritoran

Chemical Property of Eritoran

Chemical Property:

• PKA: 1.73±0.10(Predicted)
• PSA: 324.57000
• Density: 1.14g/cm³
• LogP: 16.14580
• XLogP3: 15.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 59
• Exact Mass: 1312.84300379
• Heavy Atom Count: 89
• Complexity: 1900

Purity/Quality:

98% ^*data from raw suppliers

ERITORAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC
• Recent ClinicalTrials: Randomized, Embedded, Multifactorial Adaptive Platform Trial for Community- Acquired Pneumonia
• Recent EU Clinical Trials: ACCESS: A Controlled Comparison of Eritoran Tetrasodium and Placebo in Patients with Severe Sepsis
• Recent NIPH Clinical Trials: REMAP-CAP:Randomized,Embedded,Multifactorial Adaptive Platform trial for Community-Acquired Pneumonia Immune Modulation-2 Domain
• Uses: Treatment of sepsis and other diseases due to reaction to bacterial endotoxin (endotoxin antagonist).