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Eribulin chemical structure, C40H59NO11, CAS 253128-41-5
2D chemical structure

Key facts

What buyers check first

CAS number
253128-41-5
Formula
C40H59NO11
Molar mass
729.91 g/mol
EC number
803-583-7
HS code
293299
Category
Pharmaceuticals and APIs

What is Eribulin?

Plain description, key identifiers and synonyms

Eribulin is a fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is a polycyclic ether, a cyclic ketone, a polyether, a primary amino compound, a macrocycle and a cyclic ketal. It is a conjugate base of an eribulin(1+).

Eribulin is a pharmaceutical drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
CAS number
253128-41-5 CAS number cross-checked
EC number
803-583-7
Molecular formula
C40H59NO11
UNII
LR24G6354G
MDL number
MFCD23160037
InChIKey
UFNVPOGXISZXJD-JBQZKEIOSA-N
InChI
InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
Canonical SMILES
C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8C(CC9OC(CCC1O2)CC(C)C9=C)OC(CC(O)CN)C8OC)OC7C6O3)C5O4
Isomeric SMILES
C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O

Synonyms

  • eribuline
  • Eribulina
  • E-7389 free base
  • ER 086526
  • eribulinum
  • Eribulin free
  • 2-[4-[[(2R)-2-Aminobutyl]amino]-2-quinazolinyl]-4-chloro-phenol

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
729.91 g/molcalc.
Exact mass
729.4088 Dacalc.
LogP (octanol/water)
3.44calc.
Topological polar surface area
146.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
4calc.
Heavy atoms
52calc.
Rings
10calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (2 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, C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8CCOC8CC8OC(CCC8=C)CCC1O2)OC7C6O3)C5O4

C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8CCOC8CC8OC(CCC8=C)CCC1O2)OC7C6O3)C5O4

10 rings, 44 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301 + H311 + H331Toxic if swallowed. Toxic in contact with skin. Toxic if inhaled.
  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H341Suspected of causing genetic defects.
  • H351Suspected of causing cancer.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Eribulin suppliers

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Eribulin 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

Roles

  • antimitotic
  • antineoplastic agent
  • microtubule-destabilising agent
  • pharmaceutical
  • tubulin modulator

Pharmacology

Eribulin is a Microtubule Inhibitor. The physiologic effect of eribulin is by means of Microtubule Inhibition.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Eribulin 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 Eribulin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Eribulin?

Eribulin is a fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage.

What is the CAS number of Eribulin?

The CAS registry number of Eribulin is 253128-41-5.

What is the molecular formula and weight of Eribulin?

The molecular formula of Eribulin is C40H59NO11 and its molar mass is 729.91 g/mol.

What is Eribulin used for?

Known uses and roles of Eribulin include antimitotic, antineoplastic agent, microtubule-destabilising agent, pharmaceutical and tubulin modulator.

Is Eribulin hazardous?

Eribulin carries the GHS signal word "Danger". Main hazards: toxic if swallowed. toxic in contact with skin. toxic if inhaled, toxic if swallowed, toxic in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Eribulin?

Eribulin 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 Eribulin?

CompoundList lists 41 suppliers of Eribulin in China, United States, India, United Kingdom and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Eribulin in India?

4 suppliers in India list Eribulin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Eribulin?

Suppliers quote Eribulin 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 Eribulin

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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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