Labetalol hydrochloride

C₁₉H₂₅ClN₂O₃CAS 32780-64-6364.87 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₁₉H₂₅ClN₂O₃
Molar mass: 364.87 g/mol
Exact mass: 364.1554 Da
Melting point: 187–189 °C
logP: 3.34Crippen estimate
Polar surface area: 96.6 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed93.2% of notifiers
H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation91.5% of notifiers
H335 May cause respiratory irritation91.5% of notifiers
H361d Suspected of damaging the unborn child88.1% of notifiers
H411 Toxic to aquatic life with long lasting effects91.5% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

32780-64-6

SMILES

CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(=N)O)c1.Cl

InChIKey

WQVZLXWQESQGIF-UHFFFAOYSA-N

InChI

InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H

Weigh it out

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

Names and synonyms

16 names · show all

Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, hydrochloride (1:1)
Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride
Salicylamide, 5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride
AH 5158A
AH 5158 hydrochloride
Trandate
Normodyne
Presdate
Labelol
Labracol
Pressalolo
Ipolab
Vescal
Amipress
Sch 15719W
NSC 290312

Work with Labetalol hydrochloride

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.

Labetalol36894-69-6Free base

Similar compounds

Benzamide, 2-hydroxy-5-[2-[(1-methyl-3-phenylpropyl)amino]acetyl]-, hydrochloride (1:1)96441-14-464 % similar Ractopamine hydrochloride90274-24-153 % similar Ractopamine97825-25-748 % similar (+-)-Isoproterenol hydrochloride51-30-946 % similar Levisoprenaline hydrochloride5984-95-246 % similar (±)-Isoproterenol hydrochloride949-36-046 % similar (±)-Epinephrine hydrochloride329-63-542 % similar (-)-Epinephrine hydrochloride55-31-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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