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Cardiovascular and metabolic drugs

Eritoran

Also known as eritoranum

CAS 185955-34-4Formula C66H126N2O19P2Molar mass 1,313.68 g/mol
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Eritoran chemical structure, C66H126N2O19P2, CAS 185955-34-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
185955-34-4
Formula
C66H126N2O19P2
Molar mass
1,313.68 g/mol
HS code
293299
Category
Cardiovascular and metabolic drugs

What is Eritoran?

Plain description, key identifiers and synonyms

Eritoran is a lipid A derivative used for the treatment of severe sepsis. It is a conjugate acid of an eritoran(4-).

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
185955-34-4 CAS number cross-checked
Molecular formula
C66H126N2O19P2
UNII
551541VI0Y
InChIKey
BPSMYQFMCXXNPC-MFCPCZTFSA-N
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
Canonical SMILES
CCCCCCC=CCCCCCCCCCC(=O)NC1C(OCC2OC(OP(=O)(O)O)C(NC(=O)CC(=O)CCCCCCCCCCC)C(OCCCCCCCCCC)C2O)OC(COC)C(OP(=O)(O)O)C1OCCC(CCCCCCC)OC
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

Synonyms

  • eritoranum

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,313.68 g/molcalc.
Exact mass
1,312.843 Dacalc.
LogP (octanol/water)
13.61calc.
Topological polar surface area
293.6 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
59calc.
Heavy atoms
89calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (4 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC(COC2CCCCO2)OC1

C1CCC(COC2CCCCO2)OC1

2 rings, 14 atoms.

200 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Eritoran suppliers

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Eritoran price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Roles

  • PPAR modulator
  • agonist
  • antimicrobial agent
  • antiviral agent
  • hypoglycemic agent
  • insulin-sensitizing drug
  • pharmaceutical

Pharmacology

Eritoran is a synthetic analogue of the lipid A portion of the endotoxin lipopolysaccharide (LPS) with potential immunomodulating activity. Eritoran binds to a receptor complex composed of toll-like receptor 4 (TLR4), CD14 and MD2 (MD-2, LY96) that is present on most cells of the immune system, inhibiting the activation of the receptor complex by LPS, which may result in the inhibition of pro-inflammatory cytokine secretion and a potentially fatal systemic inflammatory response syndrome (SIRS). LPS is found in the outer membrane of Gram-negative bacteria and binds to the TLR4/CD14/MD2 receptor complex of immune cells, including macrophages, resulting in the release of pro-inflammatory cytokines.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Eritoran is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Eritoran is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Eritoran, based on the data on this page

What is Eritoran?

Eritoran is a lipid A derivative used for the treatment of severe sepsis. It is a conjugate acid of an eritoran(4-).

What is the CAS number of Eritoran?

The CAS registry number of Eritoran is 185955-34-4.

What is the molecular formula and weight of Eritoran?

The molecular formula of Eritoran is C66H126N2O19P2 and its molar mass is 1,313.68 g/mol.

What is Eritoran used for?

Known uses and roles of Eritoran include antidiabetics in pharmaceuticals, ppar modulator, agonist, antimicrobial agent, antiviral agent and 3 more.

Is Eritoran hazardous?

No GHS hazard classification for Eritoran is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Eritoran?

Eritoran is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eritoran?

Post a free request on CompoundList and suppliers of Eritoran will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Eritoran?

Suppliers quote Eritoran on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Eritoran

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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