(2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(~2~H_3_)methylpropan-1-aminium chloride
Basic information
- CAS
350818-62-1- Standard SMILES
[2H]C([2H])([2H])[N+](C)(C)C[C@H](O)CC(=O)O.[Cl-]- InChIKey
JXXCENBLGFBQJM-QKBJTWEASA-N- Molecular formula
- C7H16ClNO3
- Average molar mass
- 200.68 g/mol
- Monoisotopic mass
- 200.1007013
Names & identifiers
- Preferred name
- (2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(~2~H_3_)methylpropan-1-aminium chloride
- IUPAC
- [(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium chloride
- English name
- L-Carnitine-d3 HCl (methyl-d3)
- Molecular formula
- C6H10D3NO3.ClH
- Molecular weight
- 186.652
Names & synonyms
350818-62-1DTXSID90745953(2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(~2~H_3_)methylpropan-1-aminium chlorideRefChem:206661DTXCID30696697L-Carnitine-d3 ChlorideL-Carnitine-d3 (hydrochloride)L-Carnitine-d3 HCl (N-methyl-d3)L-Carnitine-d3 (chloride)[(2R)-3-Carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium;chloridel-carnitine-d3 hydrochloride(2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(methyl-d3)-1-propanaminium Chloride
Show more names
L-Carnitine-d3 HClD3- L-carnitine Chloride[2H3]- L-Carnitine ChlorideL-Carnitine -D3CI (methyl-D3)L-Carnitine -D3HCI (methyl-D3)L-CARNITINE:HCL (METHYL-D3, 98%)L-Carnitine·HCl (methyl-D?, 98%)L-Carnitine-D3 Chloride (Standard)
L-CARNITINE-D3 HCL (METHYL-D3)MSK1534D3Aorb2280894HY-B1453STMIH-0296MS-23085CS-0202855L-Carnitine-methyl-d3 hydrochloride, 98 atom % D, 98% (CP)
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 131 · 131-135°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic
- 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/i1D3;
- InChIKey
- JXXCENBLGFBQJM-QKBJTWEASA-N
- SMILES
- [Cl-].[2H]C([2H])([2H])[N+](C)(C)C[C@H](O)CC(O)=O
- UNSPSC Code
- 12352108 · 12352108
- CAS Number Unlabeled
- 6645 · 6645-46-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H335-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesL-Carnitine-d3 Chloride is the isotope labelled analog of L-Carnitine (C184110); a vitamin (enzyme cofactor). It is an essential cofactor of fatty acid metabolism and is required for the transport of fatty acids through the inner mitochondrial membrane. Synthetized primarily in the liver and kidney with the highest concentrations found in heart and skeletal muscle. Dietary sources include red meat, dairy products, beans, avocado.
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Compound notes
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