Labetalol hydrochloride supplier

Name
Labetalol hydrochloride
EINECS 251-211-1
CAS No. 32780-64-6
Article Data3
CAS DataBase
Density
Solubility
Melting Point 187-189°
Formula C₁₉H₂₄N₂O₃.ClH
Boiling Point 552.7 °C at 760 mmHg
Molecular Weight 364.872
Flash Point 288.1 °C
Transport Information
Appearance
Safety 36
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzamide,2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-,monohydrochloride (9CI);Salicylamide,5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride(8CI);5-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide monohydrochloride;Amipress;Ipolab;Labelol;Labracol;Normodyne;Presdate;Pressalolo;Trandate;Vescal;
PSA 95.58000
LogP 4.02860

Synthetic route

: 32780-63-5
2-hydroxy-5-<acetyl>benzamide hydrochloride

: 32780-64-6
labetalol hydrochloride

Conditions

Conditions	Yield
With hydrogen; platinum on activated charcoal; palladium oxide on charcoal In ethanol under 760 Torr; Ambient temperature;	67%

PtO on carbon: PtO on carbon

: 2550-26-7
4-Phenyl-2-butanone

: 30566-92-8
5-(N,N-dibenzylamino)acetylsalicylamide

: 32780-64-6
labetalol hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; trimethyleneglycol In methanol; ethanol; acetic acid; ethyl acetate

...Expand

: 85665-85-6
C19H22N2O3

: 32780-64-6
labetalol hydrochloride

Conditions

Conditions	Yield
Stage #1: C19H22N2O3 With water; sodium hydroxide In methanol at 1 - 20℃; for 0.5h; Stage #2: With sodium tetrahydroborate; water In methanol at 15 - 25℃; Stage #3: With hydrogenchloride In methanol; water at 20℃; for 2h; pH=2;

: 32780-64-6
labetalol hydrochloride

: 76143-20-9
5-formyl-2-hydroxy-benzamide

Conditions

Conditions	Yield
Stage #1: labetalol hydrochloride With sodium hydrogencarbonate In water Stage #2: With sodium periodate In water at 20℃; for 0.583333h; Stage #3: With hydrogenchloride In water for 0.0333333h;	70%

: 32780-64-6
labetalol hydrochloride

: 32551-03-4, 83167-26-4, 83167-30-0
(R,S)-2-hydroxy-5-<2-<(1-methyl-3-phenylpropyl)amino>ethyl>benzamide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium dihydroxide In ethanol under 2280 Torr; for 672h; Ambient temperature;	47%

: 32780-64-6
labetalol hydrochloride

A: 22374-89-6
(RS)-1-methyl-3-phenylpropylamine

B: 76143-20-9
5-formyl-2-hydroxy-benzamide

Conditions

Conditions	Yield
With sodium periodate; sodium carbonate at 25℃; for 0.166667h;

: 58086-67-2
1-methyl-2-fluoropyridinium p-toluenesulfonate

: 32780-64-6
labetalol hydrochloride

: C25H30N3O3(1+)*C7H7O3S(1-)

Conditions

Conditions	Yield
With triethylamine In dimethyl sulfoxide; acetonitrile at 20℃; for 0.0833333h;

: 32780-64-6
labetalol hydrochloride

A: (Z)-2-hydroxy-5-({2-[(2-{4-[1-(4-hydroxy-phenyl)-2-phenyI-but-1-enyl]-phenoxy}-ethyl)-methyl-amino]-ethoxyimino}-methyl)-benzamide

B: (E)-2-hydroxy-5-({2-[(2-{4-[1-(4-hydroxy-phenyl)-2-phenyI-but-1-enyl]-phenoxy}-ethyl)-methyl-amino]-ethoxyimino}-methyl)-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: ethanol; water View Scheme

: 32780-64-6
labetalol hydrochloride

A: (Z)-N-[2-hydroxy-5-({2-[(2-{4-[1-(4-hydroxy-phenyl)-2-phenyl-but-1-enyl]-phenoxy}-ethyl)-methyl-amino]-ethoxyimino}-methyl)-benzamide]-doxorubicin

B: (E)-N-[2-hydroxy-5-({2-[(2-{4-[1-(4-hydroxy-phenyl)-2-phenyl-but-1-enyl]-phenoxy}-ethyl)-methyl-amino]-ethoxyimino}-methyl)-benzamide]-doxorubicin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: water; N,N-dimethyl-formamide / 0.75 h / 55 °C 3.1: trifluoroacetic acid / ethanol; water / 2 h / 20 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-41-0
5-(2-bromoethoxymethyl)-2-hydroxybenzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: 55 °C 2.2: 4 h / 20 - 55 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-52-3
2-hydroxy-5-(4-hydroxy-but-2-ynyloxymethyl)-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-48-7
2-hydroxy-5-[2-(2-hydroxyethoxy)ethoxymethyl]benzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-66-9
6-(4-bromobut-2-ynyloxymethyl)-2,2-dimethyl-2,3-dihydrobenzo[e][1,3]oxazin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-58-9
6-(4-hydroxybut-2-ynyloxymethyl)-2,2-dimethyl-2,3-dihydro-benzol[e][1,3]-oxazin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-54-5
6-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2-dimethyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-50-1
2-hydroxy-5-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxymethyl}-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-61-4
methanesulfonic acid 2-[2-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-ylmethoxy)ethoxy]ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 2 h / 20 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-56-7
6-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl}-2,2-dimethyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-81-8
5-{4-[3-(4-cyano-3-trifluoromethyl-phenyl)-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]-but-2-ynyloxymethyl}-2-hydroxy-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C 6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux View Scheme

Yield

Multi-step reaction with 6 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 60 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 1 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 6 h / 20 °C
6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux
View Scheme

: 32780-64-6
labetalol hydrochloride

: 5-(2-{2-[3-(4-cyano-3-trifluoromethyl-phenyl)-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]-ethoxy}-ethoxymethyl)-2-hydroxy-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 2 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 24 h / 60 °C 6.1: water; toluene-4-sulfonic acid / methanol / 30 h / 90 °C / Heating / reflux View Scheme

Yield

Multi-step reaction with 6 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 70 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 2 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 24 h / 60 °C
6.1: water; toluene-4-sulfonic acid / methanol / 30 h / 90 °C / Heating / reflux
View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-74-9
4-{3-[4-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-ylmethoxy)but-2-ynyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl}-2-trifluoromethylbenzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-68-1
4-(3-{2-[2-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-ylmethoxy)-ethoxy]-ethyl}-4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-trifluoromethyl-benzonitrile

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 70 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 80 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 2 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 24 h / 60 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 5-[2-(4-{4-[3-(4-cyano-3-trifluoromethyl-phenyl)-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]-butyl}-piperazin-1-yl)-ethoxymethyl]-2-hydroxy-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: 55 °C 2.2: 4 h / 20 - 55 °C 3.1: triethylamine / tetrahydrofuran / 20 h / Heating / reflux View Scheme

: 32780-64-6
labetalol hydrochloride

: 636595-43-2
N-(5-{4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]but-2-ynyloxymethyl}-2-hydroxybenzamidomethyl)doxorubicin

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C 6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux 7.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C 7.2: 0.25 h / 55 °C View Scheme

Yield

Multi-step reaction with 7 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 60 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 1 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 6 h / 20 °C
6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux
7.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C
7.2: 0.25 h / 55 °C
View Scheme

: 32780-64-6
labetalol hydrochloride

: N-(5-{4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl]but-2-ynyloxymethyl}-2-hydroxybenzamidomethyl)doxorubicin acetate

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C 6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux 7.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C 7.2: 0.25 h / 55 °C 8.1: chloroform View Scheme

Yield

Multi-step reaction with 8 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 60 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 1 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 6 h / 20 °C
6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux
7.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C
7.2: 0.25 h / 55 °C
8.1: chloroform
View Scheme

: 32780-64-6
labetalol hydrochloride

: 850256-37-0
doxorubicin-5-formylsalicylamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: water; N,N-dimethyl-formamide / 0.42 h / 60 °C 2.2: 0.42 h / 60 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 850256-41-6
doxaliform

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: water; N,N-dimethyl-formamide / 0.75 h / 55 °C View Scheme

: 32780-64-6
labetalol hydrochloride

: 5-{4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxoimidazolin-1-yl]but-2-ynyloxymethyl}-2-butyryloxymethoxybenzamide

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C 6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux 7.1: potassium carbonate / acetone / 0.5 h / 20 °C 7.2: 4 h / Heating / reflux View Scheme

Yield

Multi-step reaction with 7 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 60 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 1 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 6 h / 20 °C
6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux
7.1: potassium carbonate / acetone / 0.5 h / 20 °C
7.2: 4 h / Heating / reflux
View Scheme

: 32780-64-6
labetalol hydrochloride

: N-(5-{4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]but-2-ynyloxymethyl}-2-butyryloxymethoxybenzamidomethyl)-doxorubicin

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1.1: sodium hydrogencarbonate / water 1.2: 0.58 h / 20 °C 1.3: 0.03 h 2.1: decaborane / 5 h / 60 °C 3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux 4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C 4.2: 1 h / 20 °C 5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C 5.2: 6 h / 20 °C 6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux 7.1: potassium carbonate / acetone / 0.5 h / 20 °C 7.2: 4 h / Heating / reflux 8.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C 8.2: 0.25 h / 55 °C View Scheme

Yield

Multi-step reaction with 8 steps
1.1: sodium hydrogencarbonate / water
1.2: 0.58 h / 20 °C
1.3: 0.03 h
2.1: decaborane / 5 h / 60 °C
3.1: toluene-4-sulfonic acid / acetone / 1.5 h / 85 °C / Heating / reflux
4.1: pyridine / tetrahydrofuran / 0.5 h / 20 °C
4.2: 1 h / 20 °C
5.1: sodium hydride / N,N-dimethyl-formamide / 3 h / 20 °C
5.2: 6 h / 20 °C
6.1: water; toluene-4-sulfonic acid / methanol / 24 h / 90 °C / Heating / reflux
7.1: potassium carbonate / acetone / 0.5 h / 20 °C
7.2: 4 h / Heating / reflux
8.1: water; N,N-dimethyl-formamide / 0.25 h / 55 °C
8.2: 0.25 h / 55 °C
View Scheme

Labetalol hydrochloride Specification

The CAS registry number of Labetalol hydrochloride is 32780-64-6. Its EINECS registry number is 251-211-1. The IUPAC name is 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide hydrochloride. In addition, the molecular formula is C₁₉H₂₄N₂O₃.ClH and the molecular weight is 364.87. What's more, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7.69; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 42.01 Å²; (13)Flash Point: 288.1 °C; (14)Enthalpy of Vaporization: 87.69 kJ/mol; (15)Boiling Point: 552.7 °C at 760 mmHg; (16)Vapour Pressure: 4.75E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2)N.Cl
(2)InChI: InChI=1/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
(3)InChIKey: WQVZLXWQESQGIF-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	oral	> 1500mg/kg (1500mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING	Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 6, Pg. 273, 1980.
man	LDLo	oral	1620mg/kg/27W (1620mg/kg)	GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	Annals of Internal Medicine. Vol. 113, Pg. 210, 1990.
mouse	LD50	intraperitoneal	114mg/kg (114mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
mouse	LD50	intravenous	47mg/kg (47mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
mouse	LD50	oral	1450mg/kg (1450mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
rabbit	LD50	intravenous	41mg/kg (41mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
rabbit	LD50	oral	1250mg/kg (1250mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
rat	LD50	intraperitoneal	107mg/kg (107mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
rat	LD50	intravenous	53mg/kg (53mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Hokkaido Igaku Zasshi. Hokkaido Journal of Medical Science. Vol. 53, Pg. 15, 1978.
rat	LD50	oral	2114mg/kg (2114mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Kiso to Rinsho. Clinical Report. Vol. 21, Pg. 6307, 1987.
women	LDLo	oral	244mg/kg/76D- (244mg/kg)	LIVER: LIVER FUNCTION TESTS IMPAIRED LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	American Journal of Medicine. Vol. 87, Pg. 235, 1989.
women	LDLo	oral	360mg/kg/60D- (360mg/kg)		Annals of Internal Medicine. Vol. 113, Pg. 210, 1990.
women	LDLo	oral	360mg/kg/60D- (360mg/kg)	LIVER: LIVER FUNCTION TESTS IMPAIRED	Annals of Internal Medicine. Vol. 113, Pg. 210, 1990.
women	TDLo	oral	53mg/kg/53D-I (53mg/kg)		Annals of Internal Medicine. Vol. 113, Pg. 210, 1990.
women	TDLo	oral	53mg/kg/53D-I (53mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Annals of Internal Medicine. Vol. 113, Pg. 210, 1990.

Product Name

Labetalol hydrochloride

Synthetic route

Labetalol hydrochloride Specification

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