CAS No.3040-38-8,L-Acetylcarnitine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3040-38-8
Name:	L-Acetylcarnitine
Article Data:	7

Formula:	C9H17 N O4
Molecular Weight:	203.238
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;
Density:	g/cm³
Boiling Point:	°Cat760mmHg
Flash Point:	°C
PSA:	66.43000
LogP:	-1.23570

Synthetic route

: 108-24-7
acetic anhydride

: 541-15-1
L-carnitine

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
With acetic acid at 80℃; for 12h; Temperature;	88.9%

: 541-15-1
L-carnitine

: 75-36-5
acetyl chloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 5℃; for 12h; Concentration;	71.4%

: 6645-46-1
L-carnitine chloride

: 75-36-5
acetyl chloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 5℃; for 12h; Concentration;	68.3%

: 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

: 127-09-3
sodium acetate

: Trimethyl-((S)-4-oxo-oxetan-2-ylmethyl)-ammonium; chloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
In dimethyl sulfoxide for 24h; Yield given;

: 6645-46-1
L-carnitine chloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

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

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

: (R)-carnitine mesylate mesylate

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaHCO3 / dimethylsulfoxide / 6 h / Ambient temperature 2: dimethylsulfoxide / 24 h View Scheme

: ((R)-3-Carboxy-2-chloro-propyl)-trimethyl-ammonium; chloride

: 3040-38-8
Acetyl-L-carnitine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaHCO3 / dimethylsulfoxide / 24 h 2: dimethylsulfoxide / 24 h View Scheme

: ((R)-3-Benzyloxycarbonyl-2-hydroxy-propyl)-trimethyl-ammonium; perchlorate

: 3040-38-8
Acetyl-L-carnitine

Conditions

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

Downstream Products

497-23-4

Total:38 Page 1 of 1 1

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Chemistry

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

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,

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- .