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6645-46-1

Basic Information
CAS No.: 6645-46-1
Name: L(-)-Carnitine hydrochloride
Article Data: 17
Molecular Structure:
Molecular Structure of 6645-46-1 (L(-)-Carnitine hydrochloride)
Formula: C7H16ClNO3
Molecular Weight: 197.662
Synonyms: 1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (R)-;Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-,chloride, (-)- (8CI);(R)-(-)-Carnitine hydrochloride;(R)-Carnitinehydrochloride;1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (2R)-;L-Carnitine chloride;L-Carnitinehydrochloride;LC 80;Levocarnitine chloride;
EINECS: 229-663-6
Melting Point: 142 °C
Solubility: Soluble in water
Appearance: white to slightly beige crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 60.36000
LogP: -1.00450
Synthetic route
2788-28-5

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

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride; water100%
With hydrogenchloride Heating;
107799-28-0

(+)-(3R,2'S)-ethyl 3-<(2-methoxy-2-phenylacetyl)oxy>-4-(triethylammonio)butanoate iodide

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride 1.) 60 deg C, 2 h, 2.) RT, 16 h;90%
10488-69-4, 86728-85-0, 87068-18-6, 90866-33-4

ethyl (L)-4-chloro-3-hydroxybutyrate

124-40-3

dimethyl amine

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride 1.) ethanol, reflux 6 h; 2.) reflux 3 h.; Yield given. Multistep reaction;

(3-Carboxy-2-oxo-propyl)-trimethyl-ammonium; chloride

A

6645-46-1

L-carnitine chloride

B

10017-44-4

(S)-(+)-3-hydroxy-4-(trimethylammonio)-butanoic acid chloride

Conditions
ConditionsYield
With (S)-BiphempRuBr2; hydrogen In methanol at 25℃; under 76000 Torr; for 72h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
111006-14-5

(R)-3,4-epoxybutyric acid

75-50-3

trimethylamine

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride at 45℃; for 2h; Yield given;
86728-99-6

octyl (R)-γ-chloro-β-hydroxybutyrate

75-50-3

trimethylamine

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride 1.) ethanol, 80 deg C, 2.) 2 h; Yield given. Multistep reaction;
74-88-4

methyl iodide

d-γ-amino-β-oxy-butyric acid

d-γ-amino-β-oxy-butyric acid

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With methanol; potassium hydroxide und volgenden Versetzen mit Salzsaeure;
10488-69-4, 86728-85-0, 87068-18-6, 90866-33-4

ethyl (L)-4-chloro-3-hydroxybutyrate

75-50-3

trimethylamine

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
Stage #1: ethyl (L)-4-chloro-3-hydroxybutyrate; trimethylamine In water at 80 - 90℃; for 3h;
Stage #2: With hydrogenchloride; water at 80 - 90℃; for 2h;
18933-33-0

(R,S)-carnitinenitrile chloride

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Ag2O
2: aq. HCl / Heating
View Scheme
541-15-1

L-carnitine

6645-46-1

L-carnitine chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 55 - 60℃;
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    Name: (R)-(3-carboxy-2-hydroxypropyl)trimethylammonium chloride CAS:6645-46-1 MF: C7H16ClNO3 Appearance:White Powder Storage:Store in cool and dry place, away from sun light. Package:25kg Transportation:By sea or by air Port:Qingdao Port

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Chemistry

Molecule structure of L(-)-Carnitine hydrochloride (CAS NO.6645-46-1):

IUPAC Name: (2,4-Dihydroxy-4-oxobutyl)-trimethylazanium chloride
Molecular Formula: C7H16ClNO3
Molecular Weight: 197.659840 g/mol
Melting Point: 142 °C
Storage Temp.: −20 °C
Water Solubility: soluble
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 197.081871
MonoIsotopic Mass: 197.081871
Topological Polar Surface Area: 57.5
Heavy Atom Count: 12 
Canonical SMILES: C[N+](C)(C)CC(CC(=O)O)O.[Cl-]
InChI: InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H
InChIKey: JXXCENBLGFBQJM-UHFFFAOYSA-N
EINECS: 229-663-6
Product Categories: Food & Feed ADDITIVES;Vitamins and derivatives

Toxicity Data With Reference

1.    

orl-rat LD50:6890 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),191.
2.    

ipr-rat LD50:1920 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),191.
3.    

ivn-rat LD50:1440 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),191.
4.    

orl-mus LD50:8 g/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),446.
5.    

ipr-mus LD50:1690 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),446.
6.    

scu-mus LD50:4320 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),446.
7.    

ivn-dog LD50:2272 mg/kg

    IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 19 (1988),238.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin  
Safety Statements: 26-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection   
WGK Germany: 2
RTECS: BP2979100
Moderately toxic by intraperitoneal and intravenous routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Cl.

Specification

 L(-)-Carnitine hydrochloride (CAS NO.6645-46-1) is also named as (-)-(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride ; (R)-3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium chloride ; (R)-Carnitine hydrochloride ; L-Carnitine chloride ; L-Carnitine hydrochloride ; LC-80 ; Levocarnitine chloride ; UNII-J3Y5E6IKS3 ; l-(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride ; l-Carnitine chloride ; l-Carnitine hydrochloride . L(-)-Carnitine hydrochloride (CAS NO.6645-46-1) is white to slightly beige crystalline powder. It is toxic. It will produce toxic nitrogen oxides and hydrogen chloride fumes by heat. So the storage environment should be ventilate, low-temperature and dry.