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Eritoran

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Category Epstein-Barr virus (EBV)
CAS 185955-34-4
Description Eritoran is a TLR4 antagonist that is developed for the treatment of severe sepsis.
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Synonyms ERITORAN;185955-34-4;Eritoran [INN];E5564;CHEMBL501259;[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate;CHEBI:68609;551541VI0Y;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;3-O-Decyl-2-deoxy-6-O-[2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[[(11Z)-1-oxo-11-octadecenyl]amino]-4-O-phosphono-beta-D-glucopyranosyl]-2-[(1,3-dioxotetradecyl)amino]-alpha-D-glucopyranose1-(dihydrogenphosphat;3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11E)-octadec-11-enoylamino]-4-O-phosphonato-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose;3-O-Decyl-2-Deoxy-6-O-{2-Deoxy-3-O-[(3r)-3-Methoxydecyl]-6-O-Methyl-2-[(11z)-Octadec-11-Enoylamino]-4-O-Phosphono-Beta-D-Glucopyranosyl}-2-[(3-Oxotetradecanoyl)amino]-1-O-Phosphono-Alpha-D-Glucopyranose;UNII-551541VI0Y;ERITORAN [MI];ERITORAN [WHO-DD];E5564; ERITORAN;GTPL4919;SCHEMBL10042156;DTXSID60873217;EX-A5458;BDBM50274760;DB04933;DA-52978;HY-105070;CS-0024876;Q5389586;.ALPHA.-D-GLUCOPYRANOSE, 3-O-DECYL-2-DEOXY-6-O-(2-DEOXY-3-O-((3R)-3-METHOXYDECYL)-6-O-METHYL-2-(((11Z)-1-OXO-11-OCTADECENYL)AMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((1,3-DIOXOTETRADECYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE);[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate;3-O-DECYL-2-DEOXY-6-O-(2-DEOXY-3-O-((3R)-3-METHOXYDECYL)-6-O-METHYL-2-((11Z)-OCTADEC-11-ENOYLAMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((3-OXOTETRADECANOYL)AMINO)-1-O-PHOSPHONO-.ALPHA.-D-GLUCOPYRANOSE;
IUPAC Name [(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate
Molecular Weight 1313.66
Molecular Formula C66H126N2O19P2
Canonical SMILES CCCCCCC[C@@H](OC)CCO[C@@H]1[C@H]([C@@H](O[C@H](COC)[C@H]1OP(O)(O)=O)OC[C@@H]2[C@H]([C@@H]([C@@H](NC(CC(CCCCCCCCCCC)=O)=O)[C@@H](OP(O)(O)=O)O2)OCCCCCCCCCC)O)NC(CCCCCCCCC/C=C\CCCCCC)=O
InChI InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
InChIKey BPSMYQFMCXXNPC-MFCPCZTFSA-N
Purity 95%
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

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