Metoprolol

C₁₅H₂₅NO₃CAS 37350-58-6267.37 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine

Properties

Molecular formula: C₁₅H₂₅NO₃
Molar mass: 267.37 g/mol
Exact mass: 267.1834 Da
Melting point: 35 °C
pKa: 9.56
logP: 1.61Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H361d Suspected of damaging the unborn child33.3% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

37350-58-6

SMILES

COCCc1ccc(OCC(O)CNC(C)C)cc1

InChIKey

IUBSYMUCCVWXPE-UHFFFAOYSA-N

InChI

InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all

2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-
1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol
1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
CGP 2175
(±)-Metoprolol
Dl-Metoprolol
(RS)-Metoprolol
Spesicor
Beatrolol
Seroken
Meijoprolol
Toprol
Metocard
Vazocardin
[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine
1-[4-(2-Methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Work with Metoprolol

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.

Metoprolol tartrate56392-17-7Salt Metoprolol succinate98418-47-4Salt

Similar compounds

Betaxolol63659-18-771 % similar Levobetaxolol hcl116209-55-367 % similar Betaxolol hydrochloride63659-19-867 % similar Esmolol81147-92-467 % similar Bisoprolol66722-44-963 % similar Esmolol hydrochloride81161-17-363 % similar Atenolol29122-68-763 % similar Bisoprolol fumarate104344-23-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook