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5080-50-2

Basic Information
CAS No.: 5080-50-2
Name: 1-Propanaminium,2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1), (2R)-
Molecular Structure:
Molecular Structure of 5080-50-2 (1-Propanaminium,2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1), (2R)-)
Formula: C9H17NO4.HCl
Molecular Weight: 239.70
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;
EINECS: 1308068-626-2
Density:
Melting Point: 194 °C (dec.)(lit.)
Boiling Point:
Flash Point:
Solubility: H2O: 100 mg/mL
Appearance: Crystallline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information:
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 20℃; for 0.666667h;
2788-28-5

(2R)-(-)-3-cyano-2-hydroxypropyltrimethylammonium chloride

5080-50-2

O-acetyl-L-carnitine hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With oxalyl dichloride at 30℃; for 2h; Inert atmosphere;
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    CAS :5080-50-2 Synonyms O-ACETYL CARNITINE;acetylcarnitine;O-Acety-carnitine;ACETYL-L-CARNITINE;3-Carboxylato-2-acetyloxy-N,N,N-trimethyl-1-propanaminium;2-(Acetyloxy)-3-carboxy-N,N,N-trimethyl-1-propanaminium inner salt;Acetyl-DL-carnitine;3-ace

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  • ,O-Acetyl-L-carnitine hydrochloride

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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