Ractopamine hydrochloride

C₁₈H₂₄ClNO₃CAS 90274-24-1337.84 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₁₈H₂₄ClNO₃
Molar mass: 337.84 g/mol
Exact mass: 337.1445 Da
Melting point: 124–129 °C
logP: 3.16Crippen estimate
Polar surface area: 72.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI, index 604-068-00-8), via PubChem.

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

90274-24-1

SMILES

CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1.Cl

InChIKey

JHGSLSLUFMZUMK-UHFFFAOYSA-N

InChI

InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H

Weigh it out

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

Names and synonyms

8 names

Benzenemethanol, 4-hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride (1:1)
Benzenemethanol, 4-hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride
LY 031537
EL 737
Paylean
LY O31537
Optaflexx
Topmax 9

Work with Ractopamine 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.

Ractopamine97825-25-7Free base

Similar compounds

Fenoterol13392-18-259 % similar Synephrine hydrochloride5985-28-457 % similar Fenoterol hydrobromide1944-12-356 % similar Labetalol hydrochloride32780-64-653 % similar Ritodrine hydrochloride23239-51-250 % similar Synephrine582-84-350 % similar Synephrine94-07-550 % similar Labetalol36894-69-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dobutamine hydrochloride49745-95-1 Isoxsuprine hydrochloride579-56-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook