ERITORAN TETRASODIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: FUO195TC7O
Parent Compound: ERITORAN

Structure
InChI Key XMDDXEUELOMXTG-PQMIVFDKSA-J
Smile CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](OC)[C@@H](OP(=O)([O-])[O-])[C@@H]1OCC[C@@H](CCCCCCC)OC.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C65H124N2O19P2.4Na/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-55(69)66-58-61(81-49-47-53(78-5)45-41-36-18-14-10-4)62(85-87(72,73)74)65(79-6)84-63(58)82-51-54-59(71)60(80-48-43-39-35-24-21-17-13-9-3)57(64(83-54)86-88(75,76)77)67-56(70)50-52(68)44-40-37-33-31-23-20-16-12-8-2;;;;/h25-26,53-54,57-65,71H,7-24,27-51H2,1-6H3,(H,66,69)(H,67,70)(H2,72,73,74)(H2,75,76,77);;;;/q;4*+1/p-4/b26-25-;;;;/t53-,54-,57-,58-,59-,60-,61-,62+,63-,64-,65+;;;;/m1..../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H122N2Na4O19P2
Molecular Weight 1401.6
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Toll-like receptor 4/MD-2 antagonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sepsis 3 D018805 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 46692
ChEMBL CHEMBL3301672
FDA SRS FUO195TC7O
PubChem 6450173
SureChEMBL SCHEMBL1650733
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