Formoterol fumarate

C23H28N2O8CAS 43229-80-7460.48 g/mol

Open in Covalent MOL file
OHNOHHONHOOHOOOH
AlcoholAlkeneCarboxylic acidEtherPhenolSecondary amine

Properties

Molecular formula
C23H28N2O8
Molar mass
460.48 g/mol
Exact mass
460.1846 Da
Melting point
138–140 °C
logP
2.58Crippen estimate
Polar surface area
168.9 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
10
Stereocentres
S, Sin SMILES atom order
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.

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Identifiers

CAS number
43229-80-7
SMILES
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(N=CO)c2)cc1.O=C(O)/C=C/C(=O)O
InChIKey
ZDUPYZMAPCZGJO-MAKVIOGJNA-N
InChI
InChI=1/C19H24N2O4.C4H4O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-,19+;/s2

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

Names and synonyms

15 names · show all
  • Formamide, N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, rel-, (2E)-2-butenedioate (2:1) (salt)
  • Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, (R*,R*)-(±)-, (E)-2-butenedioate (2:1) (salt)
  • BD 40A
  • Atock
  • Aformoterol
  • CGP 25827A
  • YM 08316
  • Eformoterol fumarate
  • Foradil
  • Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, (R*,R*)-, (E)-2-butenedioate (2:1) (salt)
  • NSC 299587
  • Foradil acrolizer
  • Foradil certihaler
  • Oxis pMDi
  • Foradil aerolizer

Work with Formoterol 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 Formoterol73573-87-2Free base Iron(II) fumarate141-01-5Salt Enalapril maleate76095-16-4Salt, diastereomer Pyrilamine maleate59-33-6Salt, stereo not defined Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt, diastereomer Sodium fumarate5873-57-4Salt Clemastine fumarate14976-57-9Salt Calcium fumarate19855-56-2Salt

Similar compounds

Fenoterol13392-18-239 % similar Fenoterol hydrobromide1944-12-338 % similar 2-Ethylamino-1-(4′-methoxyphenyl)propane14367-46-537 % similar Labetalol36894-69-637 % similar Labetalol hydrochloride32780-64-635 % similar 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine43229-65-835 % similar (2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic acid37902-60-635 % similar 3-(4-Methoxybenzoyl)acrylic acid5711-41-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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