Timolol maleate

C₁₇H₂₈N₄O₇SCAS 26921-17-5432.49 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₂₈N₄O₇S
Molar mass: 432.49 g/mol
Exact mass: 432.1679 Da
Melting point: 201.5–202.5 °C
logP: 0.21Crippen estimate
Polar surface area: 154.3 Å²
H-bond donors / acceptors: 4 / 10
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order
Double bonds: ZE/Z, in SMILES order

Hazards

Danger

H302 Harmful if swallowed98.9% of notifiers
H361 Suspected of damaging fertility or the unborn child92.1% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure39.3% of notifiers

Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, P501

Identifiers

CAS number

26921-17-5

SMILES

CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O

InChIKey

WLRMANUAADYWEA-NWASOUNVSA-N

InChI

InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

42 names · show all

2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-, (2Z)-2-butenedioate (1:1)
2-Propanol, 1-(tert-butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-, (-)-, maleate (1:1) (salt)
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (S)-, (Z)-2-butenedioate (1:1) (salt)
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)-, (2Z)-2-butenedioate (1:1) (salt)
1,2,5-Thiadiazole, 2-propanol deriv.
MK 950
l-Timolol maleate
Timoptol
Timacor
Timolol hydrogen maleate
Timoptic
(-)-Timolol maleate
Betime
(S)-Timolol hydrogen maleate
(S)-(-)-Timolol maleate
Optimol
Timorom
Rysmon TG
WP 934
Blocadren
Blocanol
Aquanil
Tenopt
Proflax
Betim
Temserin
Timacar
Timoptol XE
Istalol
Timolol LA
Timabak
Timomann
Timolet
(S)-Timolol maleate
Apimol
Ophtamolol
Timohexal
Ocumol
Timoftol
Timoptol-LA
Isralol
Timolast

Work with Timolol maleate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, diastereomer Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Timolol26839-75-8Free base (+)-Timolol maleate26839-77-0Enantiomer Iron(II) fumarate141-01-5Salt, diastereomer Enalapril maleate76095-16-4Salt Pyrilamine maleate59-33-6Salt, stereo not defined Chlorpheniramine maleate113-92-8Salt, stereo not defined Sodium fumarate5873-57-4Salt, diastereomer Clemastine fumarate14976-57-9Salt, diastereomer Calcium fumarate19855-56-2Salt, diastereomer

Similar compounds

Levobunolol47141-42-434 % similar Celiprolol56980-93-933 % similar Celiprolol hydrochloride57470-78-732 % similar Carteolol hydrochloride51781-21-631 % similar Nadolol42200-33-931 % similar 3-Chloro-4-morpholino-1,2,5-thiadiazole30165-96-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook