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Timolol chemical structure, C13H24N4O3S, CAS 26839-75-8
2D chemical structure

Key facts

What buyers check first

CAS number
26839-75-8
Formula
C13H24N4O3S
Molar mass
316.43 g/mol
Melting point
71.5 to 72.5
HS code
293499
Category
Cardiovascular and metabolic drugs

What is Timolol?

Plain description, key identifiers and synonyms

(S)-timolol (anhydrous) is the (S)-() (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and an antiglaucoma drug. It is a conjugate base of a (S)-timolol(1+). It is an enantiomer of a (R)-timolol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CAS number
26839-75-8 CAS number cross-checked
EC number
248-032-6
Molecular formula
C13H24N4O3S
UNII
5JKY92S7BR
InChIKey
BLJRIMJGRPQVNF-JTQLQIEISA-N
InChI
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
Canonical SMILES
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Isomeric SMILES
CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O

Synonyms

  • Betimol
  • Timololum
  • Timolol anhydrous
  • (-)-3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole
  • S-(-)-3-(3-tert-Butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole
  • (S)-1-(1,1-(Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol
  • (S)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
  • Betim
  • Timololo
  • Nyogel
  • Tiopex
  • Glau-opt
  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hemihydrate, (S)-
  • 1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
  • (S)-timolol
  • (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
  • Timolol (INN)
  • Betimol (TN)
  • Timopic
  • (S)-timolol (anhydrous)
  • (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol
  • (2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol
  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, (2S)-
  • (2S)-3-[(tert-butyl)amino]-1-(4-morpholin-4-yl(1,2,5-thiadiazol-3-yl)oxy)propa n-2-ol
  • 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-
Show all 29 synonyms
  • (S)-Timolol, Arutimol, L-Timolol
  • Tocris-0649
  • (2S)-1-[(1,1-dimethylethyl)amino]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
  • 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, (S)-

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

Melting point
71.5 to 72.5exp.

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
316.43 g/molcalc.
Exact mass
316.1569 Dacalc.
LogP (octanol/water)
0.5calc.
Topological polar surface area
79.74 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.85calc.
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, c1nsnc1N1CCOCC1

c1nsnc1N1CCOCC1

2 rings, 11 atoms, the 4-(1,2,5-Thiadiazol-3-yl)morpholine ring system.

48 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
  • H361Suspected of damaging fertility or the unborn child.
  • H362May cause harm to breast-fed children.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P330Rinse mouth.
  • 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

Timolol suppliers

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  • China, HangzhouUnclaimed profile
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  • United States, San DiegoUnclaimed profile
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Timolol price

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • Adrenergic beta-Antagonists
  • Anti-Arrhythmia Agents
  • Antihypertensive Agents

Roles

  • adrenergic agent
  • adrenergic antagonist
  • anti-arrhythmia drug
  • antiglaucoma drug
  • antihypertensive agent
  • beta-adrenergic antagonist
  • beta-adrenergic drug
  • cardiovascular drug
  • neurotransmitter agent
  • ophthalmology drug
  • pharmaceutical

Pharmacology

Timolol anhydrous is a beta-Adrenergic Blocker. The mechanism of action of timolol anhydrous is as an Adrenergic beta-Antagonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Timolol?

(S)-timolol (anhydrous) is the (S)-() (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.

What is the CAS number of Timolol?

The CAS registry number of Timolol is 26839-75-8.

What is the molecular formula and weight of Timolol?

The molecular formula of Timolol is C13H24N4O3S and its molar mass is 316.43 g/mol.

What is Timolol used for?

Use classes: Pharmaceuticals.

Is Timolol hazardous?

Timolol carries the GHS signal word "Danger". Main hazards: harmful if swallowed, suspected of causing cancer, may damage fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Timolol?

Timolol is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclicโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Timolol?

CompoundList lists 32 suppliers of Timolol in United States, China, Germany, Ukraine and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Timolol in India?

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

What is the price of Timolol?

Suppliers quote Timolol 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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