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Cas Database |
| Name |
L-Acetylcarnitine |
EINECS | N/A |
| CAS No. | 3040-38-8 | Density | g/cm3 |
| PSA | 66.43000 | LogP | -1.23570 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H17 N O4 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 203.238 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Propanaminium,2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt, (R)-;Ammonium,(3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, L-(8CI);(-)-Acetylcarnitine;(R)-Acetylcarnitine;ALCAR;Acetyl-L-(-)-carnitine;Acetyl-L-carnitine;Acetylcarnitine;L-Acetylcarnitine;L-Carnitine acetylester;L-O-Acetylcarnitine;Levocarnitine acetyl;Nicetile;O-Acetyl-L-carnitine;O-Acetylcarnitine;74832-89-6; |
Article Data | 7 |
L-Acetylcarnitine Synthetic route
| Conditions | Yield |
|---|---|
| With acetic acid at 80℃; for 12h; Temperature; | 88.9% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 5℃; for 12h; Concentration; | 71.4% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 5℃; for 12h; Concentration; | 68.3% |
| 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 |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide for 24h; Yield given; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 1.) HCl, 2.) Amberlite IRA-402 (ClO4- form) 2: pyridine / 1.75 h 3: 99 percent / H2 / 10percent Pd/C / 4 h / 2327.2 Torr 4: NaHCO3 / dimethylsulfoxide / 6 h / Ambient temperature 5: dimethylsulfoxide / 24 h View Scheme |
- 10017-44-4
(S)-(+)-3-hydroxy-4-(trimethylammonio)-butanoic acid chloride
- 3040-38-8
Acetyl-L-carnitine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 37 percent / SO2Cl2 / acetonitrile / 18 h 2: NaHCO3 / dimethylsulfoxide / 24 h 3: dimethylsulfoxide / 24 h View Scheme |
- 3040-38-8
Acetyl-L-carnitine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaHCO3 / dimethylsulfoxide / 6 h / Ambient temperature 2: dimethylsulfoxide / 24 h View Scheme |
- 3040-38-8
Acetyl-L-carnitine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaHCO3 / dimethylsulfoxide / 24 h 2: dimethylsulfoxide / 24 h View Scheme |
- 3040-38-8
Acetyl-L-carnitine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: pyridine / 1.75 h 2: 99 percent / H2 / 10percent Pd/C / 4 h / 2327.2 Torr 3: NaHCO3 / dimethylsulfoxide / 6 h / Ambient temperature 4: dimethylsulfoxide / 24 h View Scheme |
L-Acetylcarnitine Chemical Properties
Molecule structure of L-Acetylcarnitine (CAS NO.3040-38-8):
IUPAC Name: (3S)-3-Acetyloxy-4-(trimethylazaniumyl)butanoate
Molecular Weight: 203.23558 [g/mol]
Molecular Formula: C9H17NO4
XLogP3-AA: 0.4
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 203.115758
MonoIsotopic Mass: 203.115758
Topological Polar Surface Area: 66.4
Heavy Atom Count: 14
Complexity: 214
Canonical SMILES: CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Isomeric SMILES: CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
InChI: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKey of L-Acetylcarnitine (CAS NO.3040-38-8): RDHQFKQIGNGIED-QMMMGPOBSA-N
L-Acetylcarnitine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 795mg/kg (795mg/kg) | British UK Patent Application. Vol. #2008578, | |
| mouse | LD50 | subcutaneous | 8400mg/kg (8400mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Acta Biologica et Medica Germanica. Vol. 35, Pg. 645, 1976. |
| rat | LD50 | intravenous | 1265mg/kg (1265mg/kg) | British UK Patent Application. Vol. #2008578, |
L-Acetylcarnitine Specification
L-Acetylcarnitine (CAS NO.3040-38-8) is also named as Acetylcarnitine ; Acetyl-L-carnitine ; Acetylcarnitine ; (-)-Acetylcarnitine ; (R)-Acetylcarnitine ; ALCAR ; Acetyl-L-(-)-carnitine ; Acetyl-L-carnitine ; HSDB 7587 ; L-Acetylcarnitine ; L-Carnitine acetyl ester ; L-O-Acetylcarnitine ; Levocarnitine acetyl ; Nicetile ; O-Acetyl-L-carnitine ; O-Acetylcarnitine ; R-Acetylcarnitine; 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)- (9CI) ; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, L- .
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