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Respiratory, allergy and digestive drugs

Tomelukast

Also known as LY 171883, Tomelukastum, Lilly 171883

CAS 88107-10-2Formula C16H22N4O3Molar mass 318.38 g/molEC 635-828-7
GHS signal word: Warning. Pictograms: Harmful or irritant 5 suppliers listed
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Tomelukast chemical structure, C16H22N4O3, CAS 88107-10-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88107-10-2
Formula
C16H22N4O3
Molar mass
318.38 g/mol
EC number
635-828-7
HS code
293399
Category
Respiratory, allergy and digestive drugs

What is Tomelukast?

Plain description, key identifiers and synonyms

Tomelukast is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. It has a role as a leukotriene antagonist and an anti-asthmatic drug. It is a member of acetophenones, a member of phenols, an aromatic ether and a member of tetrazoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
CAS number
88107-10-2 CAS number cross-checked
EC number
635-828-7
Molecular formula
C16H22N4O3
UNII
59762X5CLS
MDL number
MFCD00211057
InChIKey
MWYHLEQJTQJHSS-UHFFFAOYSA-N
InChI
InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
SMILES (canonical and isomeric)
CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2

Synonyms

  • LY 171883
  • Tomelukastum
  • Lilly 171883
  • Ethanone, 1-(2-hydroxy-3-propyl-4-(4-(1H-tetrazol-5-yl)butoxy)phenyl)-
  • 1-[2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl]ethanone
  • 1-(2-Hydroxy-3-propyl-4-(4-(1H-tetrazol-5-yl)butoxy)phenyl)ethanone
  • 1-{2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl}ethanone
  • Compound LY171883
  • Ethanone,1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]-
  • 2'-Hydroxy-3'-propyl-4'-(4-(1H-tetrazol-5-yl)butoxy)acetophenone
  • 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
  • Tomelukast (USAN/INN)
  • 1-((2-hydroxy-3-propyl)-4-(1H-tetrazol-5-yl)butoxyphenyl)ethanone
  • Acetophenone, 2'-hydroxy-3'-propyl-4-(4-(1H-tetrazol-5-yl)butoxy)-
  • Bio1_000198
  • Bio1_000687
  • Bio1_001176
  • Bio2_000122
  • Bio2_000602
  • 5-[4-(4-Acetyl-3-hydroxy-2-propylphenoxy)butyl]-1H-tetrazole
  • 1-(2-hydroxy-3-propyl-4-{[4-(1H-tetrazol-5-yl)butyl]oxy}phenyl)ethanone
  • LY-171,883, >=98% (TLC)
  • 5-[4-(4-Acetyl-3-hydroxy-2-propylphenoxy)butyl]-tetrazole
  • 5-[4-(4-Acetyl-3-hydroxy-2-propylphenoxy)-butyl]-tetrazole
  • 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone
Show all 28 synonyms
  • 1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl}ethan-1-one
  • 1-{2-Hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone
  • (LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)-butoxy]-phenyl}-ethanone

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
318.38 g/molcalc.
Exact mass
318.1692 Dacalc.
LogP (octanol/water)
2.46calc.
Topological polar surface area
101 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc(OCCCCc2nn[nH]n2)cc1

c1ccc(OCCCCc2nn[nH]n2)cc1

2 rings, 16 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Tomelukast suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Where suppliers are based

5 suppliers in 3 countries

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Tomelukast price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Leukotriene Antagonists

Roles

  • antagonist
  • anti-asthmatic agent
  • anti-asthmatic drug
  • hormone antagonist
  • hormone receptor modulator
  • leukotriene antagonist
  • pharmaceutical
  • receptor modulator

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 Tomelukast is traded under.

HS 2933.99Indicative HS code

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

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Tomelukast?

Tomelukast is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.

Is Tomelukast hazardous?

Tomelukast carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

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

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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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