(±)-Timolol (CAS 29023-48-1): price, suppliers and safety

What is (±)-Timolol?

Plain description, key identifiers and synonyms

Timolol is 1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-() enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. It is a member of thiadiazoles and a member of morpholines. It derives from a hydride of a 1,2,5-thiadiazole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CAS number: 29023-48-1Other or deprecated CAS: 26839-75-8
EC numbers: 249-374-9, 256-299-5
Molecular formula: C₁₃H₂₄N₄O₃S
InChIKey: BLJRIMJGRPQVNF-UHFFFAOYSA-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
SMILES (canonical and isomeric): CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O

Synonyms

(+-)-Timolol
racemic-Timolol
1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol
(+/-)-Timolol
1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
(+)-1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
1-(tert-Butylamino)-3-((4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
1-(tert-butylamino)-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]-
Timololum
Racemic timolol
(S)-Timolol, Arutimol, L-Timolol
rac-Timolol
Bljrimjgrpqvnf-uhfffaoysa-
Sdccgsbi-0051156.p002
(1)-1-(tert-Butylamino)-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)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol hemihydrate
tert -butylamino-3-(4-morpholino-1,2,5-thiadiazol-3-yloxy)propan-2-ol
1-(tert-Butylamino)-3-([4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy)-2-propanol #
tert-butyl(2-hydroxy-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propyl)amine

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	316.43 g/molcalc.
Exact mass	316.1569 Dacalc.
LogP (octanol/water)	0.5calc.
Topological polar surface area	79.74 Å²calc.
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

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

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.

(±)-Timolol suppliers

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(±)-Timolol 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

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 (±)-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

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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.

Parent and salt forms, stereoisomers, similar structures and isomers

Salt and hydrate forms

Records that share this compound as their parent

3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole monomaleate chemical structure, C17H28N4O7S, CAS 57073-55-9

3-(3-(tert-Butylamino)-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole monomaleate57073-55-9C₁₇H₂₈N₄O₇S3 suppliers

(R)-Timolol (maleate) chemical structure, C17H28N4O7S, CAS 26791-17-3

(R)-Timolol (maleate)26791-17-3C₁₇H₂₈N₄O₇S

(R)-Bis[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole] maleate chemical structure, C17H28N4O7S, CAS 1184963-58-3

(R)-Bis[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole] maleate1184963-58-3C₁₇H₂₈N₄O₇S

(±)-Timolol maleate (2:1) chemical structure, C30H52N8O10S2, CAS 58731-98-9

(±)-Timolol maleate (2:1)58731-98-9C₃₀H₅₂N₈O₁₀S₂

(S)-Bis[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole] maleate chemical structure, C30H52N8O10S2

(S)-Bis[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole] maleateC₃₀H₅₂N₈O₁₀S₂

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

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

Timolol26839-75-8C₁₃H₂₄N₄O₃S32 suppliers

(R)-Timolol chemical structure, C13H24N4O3S, CAS 26839-76-9

(R)-Timolol26839-76-9C₁₃H₂₄N₄O₃S

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Timolol hemihydrate chemical structure, C26H50N8O7S2, CAS 91524-16-2

2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, hydrochloride, (S)- chemical structure, C13H25ClN4O3S, CAS 69267-58-9

2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt) chemical structure, C30H54N8O12S2, CAS 28069-03-6

Timolol maleate chemical structure, C17H28N4O7S, CAS 26921-17-5

Timolol maleate, (R)- chemical structure, C17H28N4O7S, CAS 26839-77-0

Orb2565159 chemical structure, C30H52N8O10S2, CAS 33305-95-2

84% similar

Orb256515933305-95-2C₃₀H₅₂N₈O₁₀S₂

(2R)-1-(tert-Butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol, but-2-enedioic acid chemical structure, C17H28N4O7S, CAS 1214981-81-3

R-Timolol 2-butenedioate chemical structure, C17H28N4O7S, CAS 1820576-27-9

But-2-enedioic acid, 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol chemical structure, C30H52N8O10S2

(Z)-But-2-enedioic acid, 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol chemical structure, C30H52N8O10S2

Same formula isomers

Different compounds that share this molecular formula

All isomers

Bupirimate chemical structure, C13H24N4O3S, CAS 41483-43-6

Bupirimate41483-43-6C₁₃H₂₄N₄O₃S6 suppliers

Isotimolol chemical structure, C13H24N4O3S, CAS 59697-06-2

Isotimolol59697-06-2C₁₃H₂₄N₄O₃S1 supplier

(S)-2-(Tert.-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-1-propanol chemical structure, C13H24N4O3S, CAS 158636-96-5

(S)-2-(Tert.-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-1-propanol158636-96-5C₁₃H₂₄N₄O₃S

2-((2RS)-3-((1,1-Dimethylethyl)amino)-2-hydroxypropyl)-4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2H)-one chemical structure, C13H24N4O3S, CAS 158636-97-6

2-((2RS)-3-((1,1-Dimethylethyl)amino)-2-hydroxypropyl)-4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2H)-one158636-97-6C₁₃H₂₄N₄O₃S

N-(1-Cyano-1,2-dimethylpropyl)-2-(4-methanesulfonylpiperazin-1-yl)acetamide chemical structure, C13H24N4O3S, CAS 1197643-76-7

N-(1-Cyano-1,2-dimethylpropyl)-2-(4-methanesulfonylpiperazin-1-yl)acetamide1197643-76-7C₁₃H₂₄N₄O₃S

N-(1-Cyano-1-methylethyl)-2-[4-(ethanesulfonyl)piperazin-1-yl]-N-methylacetamide chemical structure, C13H24N4O3S, CAS 1258745-24-2

N-(1-Cyano-1-methylethyl)-2-[4-(ethanesulfonyl)piperazin-1-yl]-N-methylacetamide1258745-24-2C₁₃H₂₄N₄O₃S

1,1-Ethanediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro- chemical structure, C13H24N4O3S, CAS 86092-70-8

1,1-Ethanediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-86092-70-8C₁₃H₂₄N₄O₃S

tert-Butyl N-{2-amino-2-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]ethyl}carbamate chemical structure, C13H24N4O3S, CAS 2229224-48-8

tert-Butyl N-{2-amino-2-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]ethyl}carbamate2229224-48-8C₁₃H₂₄N₄O₃S

tert-Butyl N-{2-amino-1-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]ethyl}carbamate chemical structure, C13H24N4O3S, CAS 2229195-93-9

tert-Butyl N-{2-amino-1-[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]ethyl}carbamate2229195-93-9C₁₃H₂₄N₄O₃S

Frequently asked questions

Quick answers about (±)-Timolol, based on the data on this page

What is (±)-Timolol?

Timolol is 1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group.

What is the CAS number of (±)-Timolol?

The CAS registry number of (±)-Timolol is 29023-48-1. Other or deprecated CAS numbers: 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?

Known uses and roles of (±)-Timolol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (±)-Timolol hazardous?

No GHS hazard classification for (±)-Timolol 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 (±)-Timolol?

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

Where can I buy (±)-Timolol?

Post a free request on CompoundList and suppliers of (±)-Timolol will send you quotes. Your contact details stay private until you accept a quote.

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.

Guides for buyers

Practical guides that help when you source, ship or handle (±)-Timolol

(±)-Timolol

Key facts

What is (±)-Timolol?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

(±)-Timolol suppliers

(±)-Timolol price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is (±)-Timolol?

What is the CAS number of (±)-Timolol?

What is the molecular formula and weight of (±)-Timolol?

What is (±)-Timolol used for?

Is (±)-Timolol hazardous?

What is the HS code of (±)-Timolol?

Where can I buy (±)-Timolol?

What is the price of (±)-Timolol?

Guides for buyers

Get quotes for (±)-Timolol

Key facts

What is (±)-Timolol?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

(±)-Timolol suppliers

(±)-Timolol price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Salt and hydrate forms

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is (±)-Timolol?

What is the CAS number of (±)-Timolol?

What is the molecular formula and weight of (±)-Timolol?

What is (±)-Timolol used for?

Is (±)-Timolol hazardous?

What is the HS code of (±)-Timolol?

Where can I buy (±)-Timolol?

What is the price of (±)-Timolol?

Guides for buyers

Get quotes for (±)-Timolol