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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Organic Intermediates
O-Acetyl-L-carnitine hydrochloride structure
O-Acetyl-L-carnitine hydrochloride structure

O-Acetyl-L-carnitine hydrochloride

Iupac Name:[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;chloride
CAS No.: 5080-50-2
Molecular Weight:239.696
Modify Date.: 2022-11-25 02:24
Introduction: Levacecarnine hydrochloride is a nootropic agent structurally related to the naturalsubstance L-carnitine. It is reported to be useful in the treatment of cognition disorders in the elderly, perhaps due to its weak cholinergic properties. View more+
1. Names and Identifiers
1.1 Name
O-Acetyl-L-carnitine hydrochloride
1.2 Synonyms

(2R)-2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium chloride (2R)-2-Acetoxy-3-carboxy-N,N,N-trimethyl-1-propanaminium chloride (2R)-2-Acetoxy-3-carboxy-N,N,N-trimethylpropan-1-aminium chloride (2R)-2-Acetoxy-3-carboxy-N,N,N-trimethylpropan-1-aminiumchlorid (3R)-3-(Acetyloxy)-4-(trimethylammonio)butanoate hydrochloride (3R)-3-(Acetyloxy)-4-(trimethylammonio)butyrate hydrochloride (3R)-3-Acetoxy-4-(trimethylammonio)butanoate hydrochloride (1:1) (R)-2-acetoxy-3-carboxy-N,N,N-triMethylpropan-1-aMiniuM chloride (R)-2-Acetyloxy-3-carboxy-N,N,N-trimethyl-1-propanaminium chloride (R)-3-(Acetyloxy)-4-(trimethylammonio)butanoate hydrochloride (R)-3-(Acetyloxy)-4-(trimethylammonio)butyrate hydrochloride (R)-3-ACETOXY-4-(TRIMETHYLAMMONIO)BUTYRATE HYDROCHLORIDE (R)-3-Acetoxy-4-(trimethylammonio)butyric acid hydrochloride (S)-3-Acetoxy-4-(trimethylammonio)butanoate hydrochloride 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (2R)- (1:1) 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)- 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt, (2R)-, hydrochloride (1:1) Acetylcarnitine Acetylcarnitine chloride L- Acetyl-L-carnitine chloride ACETYL-L-CARNITINE HCL(SH) Acetyl-L-carnitine Hydrochloride Levacecarnine hydrochloride MFCD00082230 Nicetile O-Acetylcarnitine (hydrochloride) O-ACETYL-L-CARNITINE CHLORIDE O-Acetyl-L-carnitine HCl R-(-)-2-ACETOXY-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM HYDROCHLORIDE R(-)-2-ACETYLOXY-3-CARBOXYN,N,N-TRIMETHYL1-PROPANAMINIUM CHLORIDE R-(-)-2-ACETYLOXY-3-CARBOXY-N,N,N-TRIMETHYL-1-PROPANAMINIUM HYDROCHLORIDE

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1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C9H18ClNO4 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Melting point
2.1 Boiling point
2.1 Refractive index
-28 ° (C=1, H2O)
2.1 Flash Point
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
H2O: 100?mg/mL
2.2 AnalyticLaboratory Methods
Analyte: acetylcarnitine;; matrix: bulk material; procedure: high-performance liquid chromatography with fluorescence detection at 485 nm (excitation) and 540 nm (emission); limit of detection: 100 fento mole
2.3 Appearance
white powder
2.4 Storage
Keep Cold. Hygroscopic.
2.5 Chemical Properties
Crystallline powder
2.6 Color/Form
2.7 Water Solubility
H2O: soluble
2.8 StorageTemp
3. Use and Manufacturing
3.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 41 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 2 of 41 companies. For more detailed information, please visit ECHA C&L website

Of the 9 notification(s) provided by 39 of 41 companies with hazard statement code(s):

H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (94.87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
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3.2 Methods of Manufacturing
... Acetylation of L-carnitine;.
3.3 Purification Methods
Recrystallise the chloride from isopropanol. Dry it over P2O5 under high vacuum. The S-betaine crystallises from EtOH/Et2O with m 145o(dec) and is hygroscopic; it has [] D -19.5o (c 6, H2O). [Krimberg & Wittandt Biochem Z 251 231 1932, Strack et al. Z Physiol Chem 238 191 1936, Beilstein 4 III 1630, 1632.] O-Acetyl-L-carnitine hydrochlorideSupplier
3.4 Usage
Acetyl-L-Carnitine (ALC) is an important dietary supplement. ALC 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.
4. Safety and Handling
4.1 Symbol
4.1 Hazard Codes
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Exposure Standards and Regulations
Since 1994, dietary supplements have been regulated under the Dietary Supplement Health and Education Act (DSHEA). The DSHEA requires no proof of safety for dietary supplements on the market prior to October 15, 1994. Labeling requirements for such supplements allow warnings and dosage recommendations as well as substantiated "structure or function" claims. All claims must prominently note that they have not been evaluated by the FDA, and they must bear the statement "This product is not intended to diagnose, treat, cure, or prevent any disease".
4.2 Octanol/Water Partition Coefficient
log Kow = -4.62 (est)
4.3 Hazard Declaration
H315; H319; H335
4.3 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
4.4 Caution Statement
P261-P305 + P351 + P338
4.4 Formulations/Preparations
Juvenon: acetyl-L-carnitine and alpha lipoic acid
4.5 WGK Germany
4.5 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??2

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

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2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Chemical Properties
Crystallline powder
9.1 Originator
Sigma-Tau (Italy)
9.2 Uses
Acetyl-L-Carnitine (ALC) is an important dietary supplement. ALC 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.
9.3 Uses
O-Acetyl-L-carnitine hydrochloride may be used as a precursor for the preparation of O-Acetyl-L-carnitine, which in turn may be used as an analytical reference standard for the determination of the analyte in biological samples by hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS) technique.
9.4 Merck
9.5 BRN
9.6 Description
Levacecarnine hydrochloride is a nootropic agent structurally related to the natural substance L-carnitine. It is reported to be useful in the treatment of cognition disorders in the elderly, perhaps due to its weak cholinergic properties.
9.7 Description
Acetyl-L-carnitine is an acetylated form of the essential mitochondrial metabolite L-carnitine (Item No. 21489) that is catabolized by plasma esterases into carnitine. Acetyl-L-carnitine facilitates the uptake of acetyl-CoA into mitochondria during fatty acid oxidation, enhances acetylcholine production, and stimulates protein and membrane phospholipid synthesis. In vivo, acetyl-L-carnitine (100 mg/kg) increases mGlu2/3 receptor protein levels and mechanical pain thresholds in a mouse model of chronic inflammatory pain induced by complete Freund''s adjuvant.
9.8 Usage
O-Acetyl-L-carnitine hydrochloride is used as a cholinergic agonist that stimulates neuronal response to serotonin and acetylcholine. Acetylcarnitine has antinociceptive activity that may be mediated by enhanced activity of muscarinic cholinergic receptors or mGlu2 glutamate receptors.
10. Computational chemical data
  • Molecular Weight: 239.696g/mol
  • Molecular Formula: C9H18ClNO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 239.0924357
  • Monoisotopic Mass: 239.0924357
  • Complexity: 219
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 63.6
  • Heavy Atom Count: 15
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
11. Question & Answer
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13. Realated Product Infomation