[(2R)-3-carboxy-2-hydroxypropyl]trimethylazanium chloride

• ChemBase ID: 105896
• Molecular Formular: C7H16ClNO3
• Molecular Mass: 197.65984
• Monoisotopic Mass: 197.08187106
• SMILES: [Cl-].C[N+](C)(C)C[C@H](O)CC(=O)O
• Canonical SMILES: O[C@@H](C[N+](C)(C)C)CC(=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/t6-;/m1./s1
• InChIKey: JXXCENBLGFBQJM-FYZOBXCZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-3-carboxy-2-hydroxypropyl]trimethylazanium chloride
• IUPAC Traditional name: (R)-carnitinium chloride
• Synonyms: L-Carnitine hydrochloride; (-)-β-Hydroxy-γ-(trimethylammonio)butyrate; 1-propanaminium-3-carboxy-2-hydroxy-N,N,N-trimethyl hydroxide; [-]-β-Hydroxy-β-trimethylaminobutyric acid; Vitamin BT; L-CARNITINE HYDROCHLORIDE; (-)-β-羟基-γ-(三甲铵)丁酸; 维生素 BT; L-肉毒碱 盐酸盐

Database IDs

• CAS Number: 6645-46-1
• EC Number: 229-663-6
• MDL Number: MFCD00066100
• PubChem SID: 24892966; 24892246; 162086866
• PubChem CID: 656657

CALCULATED PROPERTIES

• Acid pKa: 4.1961756
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.134386
• LogD (pH = 7.4): -4.1171994
• Log P: -4.887506
• Molar Refractivity: 52.6482 cm^3
• Polarizability: 16.279417 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142°C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BP2979100
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ~98%; ≥97%; ≥98%; 98%
• Biological Source: from equine muscle; synthetic
• Linear Formula: (CH3)3N+CH2CH(OH)CH2CO2H · Cl-

DETAILS

MP Biomedicals - 02195031

Purity: ~98%

Sigma Aldrich - C0283

Biochem/physiol Actions
Carnitine is a quaternary amine that occurs naturally in most mammalian tissue. It is present in relatively high concentrations in skeletal muscle and heart where it is involved in regulating energy metabolism. It shifts glucose metabolism from glycolysis to glycogen storage and enhances the transport of long chain fatty acids into the mitochondria where they are oxidized for energy production.
Packaging
10 mg in autosmp vl

Sigma Aldrich - C7518

Biochem/physiol Actions
肉毒碱是季铵，天然存在于大多数哺乳动物组织中。它在骨骼肌和心脏中参与能量代谢调控，浓度相对较高。它可将葡萄糖代谢由糖酵解转移至糖原储存，并促进长链脂肪酸向线粒体转运，使其在线粒体氧化产生能量。

Sigma Aldrich - 861855

Biochem/physiol Actions
Carnitine is a quaternary amine that occurs naturally in most mammalian tissue. It is present in relatively high concentrations in skeletal muscle and heart where it is involved in regulating energy metabolism. It shifts glucose metabolism from glycolysis to glycogen storage and enhances the transport of long chain fatty acids into the mitochondria where they are oxidized for energy production.