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Screening compounds

Abediterol

Also known as abediterolum, LAS 100977, 5-((1R)-2-((6-(2,2-Difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one

CAS 915133-65-2Formula C25H30F2N2O4Molar mass 460.52 g/mol
1 supplier listed
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Abediterol chemical structure, C25H30F2N2O4, CAS 915133-65-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
915133-65-2
Formula
C25H30F2N2O4
Molar mass
460.52 g/mol
HS code
293349
Category
Screening compounds

What is Abediterol?

Plain description, key identifiers and synonyms

Abediterol is a quinolone that is 8-hydroxyquinolin-2(1H)-one which carries a 2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl group at position 5. It is a long acting beta2-adrenoceptor agonist currently in development for the treatment of chronic obstructive pulmonary disease (COPD) and asthma. It has a role as a beta-adrenergic agonist. It is a quinolone, an ether, a secondary alcohol, an organofluorine compound, a monohydroxyquinoline and a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CAS number
915133-65-2 CAS number cross-checked
Molecular formula
C25H30F2N2O4
UNII
QXA167CM6F
InChIKey
SFYAXIFVXBKRPK-QFIPXVFZSA-N
InChI
InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1
Canonical SMILES
O=c1ccc2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(O)c2[nH]1
Isomeric SMILES
C1=CC=C(C=C1)C(COCCCCCCNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)(F)F

Synonyms

  • abediterolum
  • LAS 100977
  • 5-((1R)-2-((6-(2,2-Difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
  • 5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
  • 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one
  • 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one
  • 5-((1R)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxy-1,2-dihydroquinolin-2-one
  • 5-((1R)-2-(6-(2,2-difluoro-2-phenylethoxy)hexylamino)-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one
  • 5-((1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
  • 5-((1R)-2-((6-(2,2-Difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8- hydroxyquinolin-2(1H)-one
  • 2(1H)-Quinolinone, 5-((1R)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1- hydroxyethyl)-8-hydroxy-
  • abediterol (USAN/INN)
  • Abediterol, >98% (HPLC)
  • LAS100977, LAS-100977, LAS 100977, Abediterol
  • 2(1H)-quinolinone, 5-((1R)-2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxy-
  • 5-(2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
  • 5-[(1R)-2-[6-(2,2-difluoro-2-phenyl-ethoxy)hexylamino]-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one

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
460.52 g/molcalc.
Exact mass
460.2174 Dacalc.
LogP (octanol/water)
4.23calc.
Topological polar surface area
94.58 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
13calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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, O=c1ccc2c(CCNCCCCCCOCCc3ccccc3)cccc2[nH]1

O=c1ccc2c(CCNCCCCCCOCCc3ccccc3)cccc2[nH]1

3 rings, 29 atoms.

1 other chemical 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.

Abediterol suppliers

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Abediterol 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

  • adrenergic agent
  • adrenergic agonist
  • anti-asthmatic agent
  • beta-adrenergic agonist
  • beta-adrenergic drug
  • neurotransmitter agent
  • pharmaceutical

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 Abediterol is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Abediterol?

Abediterol is a quinolone that is 8-hydroxyquinolin-2(1H)-one which carries a 2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl group at position 5. It is a long acting beta2-adrenoceptor agonist currently in development for the treatment of chronic obstructive pulmonary disease (COPD) and asthma.

What is the CAS number of Abediterol?

The CAS registry number of Abediterol is 915133-65-2.

What is the molecular formula and weight of Abediterol?

The molecular formula of Abediterol is C25H30F2N2O4 and its molar mass is 460.52 g/mol.

What is Abediterol used for?

Known uses and roles of Abediterol include building blocks in research and laboratory, screening compounds in research and laboratory, adrenergic agent, adrenergic agonist, anti-asthmatic agent and 4 more.

Is Abediterol hazardous?

No GHS hazard classification for Abediterol 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 Abediterol?

Abediterol is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Abediterol?

CompoundList lists 1 supplier of Abediterol in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Abediterol?

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

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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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