chempirical

(+)-Timolol maleate

C17H28N4O7SCAS 26839-77-0432.49 g/mol

Open in Covalent MOL file
NHONSNNOOHOOHOHO
AlcoholAlkeneCarboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C17H28N4O7S
Molar mass
432.49 g/mol
Exact mass
432.1679 Da
logP
0.21Crippen estimate
Polar surface area
154.3 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
8
Stereocentres
Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26839-77-0
SMILES
CC(C)(C)NC[C@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O
InChIKey
WLRMANUAADYWEA-ASSQPYIHSA-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-;/m1./s1

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2R)-, (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]-, (R)-, (Z)-2-butenedioate (1:1) (salt)
  • 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2R)-, (2Z)-2-butenedioate (1:1) (salt)
  • 1,2,5-Thiadiazole, 2-propanol deriv.
  • (+)-3-(3-tert-Butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole hydrogen maleate
  • d-Timolol maleate
  • (R)-Timolol hydrogen maleate
  • (R)-(+)-Timolol maleate
  • Timolol maleate, (R)-

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, enantiomer Timolol maleate26921-17-5Enantiomer Iron(II) fumarate141-01-5Salt, diastereomer Enalapril maleate76095-16-4Salt Chlorpheniramine maleate113-92-8Salt, stereo not defined Pyrilamine maleate59-33-6Salt, 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