chempirical

Bisoprolol fumarate

C22H35NO8CAS 104344-23-2441.52 g/mol

Open in Covalent MOL file
HNHOOOOOHOOOH
AlcoholAlkeneCarboxylic acidEtherSecondary amine

Properties

Molecular formula
C22H35NO8
Molar mass
441.52 g/mol
Exact mass
441.2363 Da
Melting point
100 °C
logP
2.08Crippen estimate
Polar surface area
134.6 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
14
Double bonds
EE/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
104344-23-2
SMILES
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O
InChIKey
RZPZLFIUFMNCLY-WLHGVMLRSA-N
InChI
InChI=1S/C18H31NO4.C4H4O4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (2E)-2-butenedioate (2:1)
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (±)-, (E)-2-butenedioate (2:1) (salt)
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (E)-2-butenedioate (2:1) (salt)
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-, (2E)-2-butenedioate (2:1) (salt)
  • EMD 33512
  • Concor
  • Bisoprolol hemifumarate
  • Zebeta
  • Eurtadal
  • Monocor
  • Detensiel
  • Emvoncor
  • Soprol
  • Isoten
  • Emcor
  • Maintate
  • 1-(4-((2-Isopropoxyethoxy)methyl)phenoxy)-3-(isopropylamino)propan-2-ol hemifumarate

Work with Bisoprolol fumarate

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 Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Bisoprolol66722-44-9Free base Iron(II) fumarate141-01-5Salt Enalapril maleate76095-16-4Salt, diastereomer Timolol maleate26921-17-5Salt, diastereomer Chlorpheniramine maleate113-92-8Salt, stereo not defined Pyrilamine maleate59-33-6Salt, stereo not defined Sodium fumarate5873-57-4Salt Clemastine fumarate14976-57-9Salt Dexchlorpheniramine maleate2438-32-6Salt, diastereomer

Similar compounds

Metoprolol37350-58-653 % similar Betaxolol63659-18-752 % similar Metoprolol succinate98418-47-452 % similar Atenolol29122-68-752 % similar Metoprolol tartrate56392-17-752 % similar Levobetaxolol hcl116209-55-350 % similar Betaxolol hydrochloride63659-19-850 % similar 2-((4-((2-(1-Methylethoxy)ethoxy)methyl)phenoxy)methyl)oxirane66722-57-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook