O-Acetyl-L-carnitine hydrochloride supplier

Name
O-Acetyl-L-carnitine hydrochloride
EINECS 1308068-626-2
CAS No. 5080-50-2
Article Data10
CAS DataBase
Density
Solubility H₂O: 100 mg/mL
Melting Point 194 °C (dec.)(lit.)
Formula C₉H₁₇NO₄.HCl
Boiling Point
Molecular Weight 239.699
Flash Point
Transport Information
Appearance Crystallline powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Propanaminium,2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (2R)- (9CI);1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)-;Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, acetate, (-)- (8CI);Acetyl L-carnitine hydrochloride;Acetylcarnitine chloride;Branigen;L-Acetylcarnitine chloride;Levacecarnine hydrochloride;Normobren;O-Acetylcarnitine hydrochloride;ST 200;Zibren;l-Acetylcarnitinehydrochloride;
PSA 63.60000
LogP -2.89700

Synthetic route

: 541-15-1
L-carnitine

: 75-36-5
acetyl chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
With acetic acid In Isopropyl acetate at 10 - 60℃; for 8h; Solvent; Large scale;	86.3%
In acetic acid at 80℃; for 3h;

: 1866-15-5
acetylthiocholine iodide

: 461-05-2
dl-carnitine hydrochloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
With potassium phosphate; CoA (Coenzyme A); enzyme carnitine acetyltransferase 1) pH 7.8, 40 deg C, 3 d; Yield given. Multistep reaction;

: 461-05-2
dl-carnitine hydrochloride

: 94249-01-1
acetyl phosphate K+, Li+ salt

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
With manganese(II) sulfate; diothiothreitol at 40℃; for 12h; CoA, phosphotransacetylase, carnitine acetyltransferase, pH = 7.8;

: 75-36-5
acetyl chloride

L-4-trimethylammonio-3-hydroxy-butyric acid-chloride: L-4-trimethylammonio-3-hydroxy-butyric acid-chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
at 20℃;

: 6645-46-1
L-carnitine chloride

: 64-19-7
acetic acid

: 75-36-5
acetyl chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
at 20℃; for 0.666667h;

...Expand

: 2788-28-5
(2R)-(-)-3-cyano-2-hydroxypropyltrimethylammonium chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 82.3 percent / HCl / methanol / 2 h / 65 °C 2: acetic acid / 3 h / 80 °C View Scheme

: ((S)-2,3-epoxypropyl)trimethylammonium chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 81.6 percent / H2O / 3 h / Ambient temperature 2: 82.3 percent / HCl / methanol / 2 h / 65 °C 3: acetic acid / 3 h / 80 °C View Scheme

: (S)-N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 98 percent / K(t-BuO) / methanol / 3 h / Ambient temperature 2: 81.6 percent / H2O / 3 h / Ambient temperature 3: 82.3 percent / HCl / methanol / 2 h / 65 °C 4: acetic acid / 3 h / 80 °C View Scheme

: 6645-46-1
L-carnitine chloride

: 75-36-5
acetyl chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
With trifluoroacetic acid at 40 - 50℃; for 20h;

: 108-24-7
acetic anhydride

: 6645-46-1
L-carnitine chloride

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 70 - 75℃; for 1.5h;	92 g

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: 57-00-1
Creatinine

: acetyl L-carnitine creatinate hydrochloride

Conditions

Conditions	Yield
In 2-methyl-propan-1-ol; water at 40℃;	96%

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
With ethanol; triethylamine In dichloromethane at 20 - 25℃; for 6h;	66.89%
Multi-step reaction with 3 steps 1: oxalyl dichloride / 2 h / 30 °C / Inert atmosphere 2: tetrahydrofuran / 3 h / 30 °C 3: D-glucose / pH 7.2 / Alkaline conditions View Scheme

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: 76478-01-8
C9H17ClNO3(1+)*Cl(1-)

Conditions

Conditions	Yield
With oxalyl dichloride In dichloromethane at 20℃; for 4h;
With oxalyl dichloride In dichloromethane at 40 - 50℃;

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: C13H21N2O6(1+)*Cl(1-)

Conditions

Conditions	Yield
With 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide In 1,4-dioxane; water; N,N-dimethyl-formamide at 20℃;

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: 1351564-17-4
acetyl-L-carnitine malate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; ethanol / dichloromethane / 6 h / 20 - 25 °C 2: ethanol / 2 h / 0 °C View Scheme

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: 1415677-96-1
(2R)-2-(acetyloxy)-4-({[(2Z,3E)-2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,2-dihydro-3H-indol-3-ylidene]amino}oxy)-N,N,N-trimethyl-4-oxobutan-1-aminium chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl dichloride / 2 h / 30 °C / Inert atmosphere 2: tetrahydrofuran / 3 h / 30 °C View Scheme

: 5080-50-2
O-acetyl-L-carnitine hydrochloride

: (2R)-2-(acetyloxy)-4-chloro-N,N,N-trimethyl-4-oxobutyl-1-ammonium chloride

Conditions

Conditions	Yield
With oxalyl dichloride at 30℃; for 2h; Inert atmosphere;

O-Acetyl-L-carnitine hydrochloride Specification

The Acetyl-L-Carnitine Hydrochloride with the cas number 5080-50-2, is also called (1)Acetylcarnitine L-form HCl ; (2)1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)- . It belongs to the following product categories: (1)L-Carnitine Series; (2)Chiral Compound; (3)Lipid signaling and so on.

Propertes of Acetyl-L-Carnitine Hydrochloride: (1)ACD/LogP: -4.15 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -3.55 ; (4)ACD/LogD (pH 7.4): -3.55 ; (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): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 6 ; (12)Polar Surface Area: 52.6 Å²

Acetyl-L-Carnitine Hydrochloride seem to be crystallline powder. It is an important dietary supplement. Studies shows Acetyl-L-Carnitine Hydrochloride, which is a natural substance, present in the human body, especially in muscles, in the brain, and in the male testicles. ALC is the acetylated, high-energy form of L-Carnitine. Acetyl-L-Carnitine Hydrochloride is quite irritating to eyes, respiratory system and skin. Hence, when you are using it, please wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And Acetyl-L-Carnitine Hydrochloride should be stored at 2-8°C to protect from losing effectiveness.

You can still convert the following datas into molecular structure :
1. SMILES: [Cl-].O=C(O[C@@H](C[N+](C)(C)C)CC(=O)O)C
2. InChI: InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1

Product Name

O-Acetyl-L-carnitine hydrochloride

Synthetic route

O-Acetyl-L-carnitine hydrochloride Specification

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