Betaxolol

C₁₈H₂₉NO₃CAS 63659-18-7307.43 g/mol

Open in Covalent MOL file

Alcohol Ether Secondary amine

Properties

Molecular formula: C₁₈H₂₉NO₃
Molar mass: 307.43 g/mol
Exact mass: 307.2147 Da
Melting point: 70–72 °C
pKa: 9.21
logP: 2.39Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 11

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

63659-18-7

SMILES

CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

InChIKey

NWIUTZDMDHAVTP-UHFFFAOYSA-N

InChI

InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

2-Propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-
1-[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
1-[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol
1-Isopropylamino-3-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2-propanol
Betoptic S
(±)-Betaxolol
InOrpha

Work with Betaxolol

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.

Betaxolol hydrochloride63659-19-8Salt Levobetaxolol hcl116209-55-3Salt, defined stereoisomer

Similar compounds

Metoprolol37350-58-671 % similar Bisoprolol66722-44-963 % similar Esmolol81147-92-460 % similar Metoprolol succinate98418-47-459 % similar Atenolol29122-68-759 % similar Metoprolol tartrate56392-17-758 % similar Esmolol hydrochloride81161-17-356 % similar Bisoprolol fumarate104344-23-252 % similar

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

Same formula

Dihydrocapsaicin19408-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook