DL‐カルニチン‐D9塩酸塩(トリメチル‐D9)

D,L Carnitine-d9 Chloride

HCID 45038579CAS 1219386-75-0

部分構造検索類似構造を探す

基本情報

標準SMILES: [2H]C([2H])([2H])[N+](CC(O)CC(=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-]
InChIKey: JXXCENBLGFBQJM-KYRNGWDOSA-N
分子式: C7H16ClNO3
平均分子量: 206.71 g/mol
単同位体質量: 206.13836177

名称と識別子

優先名称: D,L Carnitine-d9 Chloride
IUPAC: (3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium chloride
現地名: DL‐カルニチン‐D9塩酸塩(トリメチル‐D9)
英語名: DL-CARNITINE-D9 HCL (TRIMETHYL-D9)
分子式: C7H7ClD9NO3
分子量: 206.72

名称と別名

1219386-75-0D,L Carnitine-d9 ChlorideBicarnesine-d9DL-Carnitine-d9 HCl (trimethyl-d9)DL-Carnitine-d9 (chloride)(3-carboxy-2-hydroxypropyl)-tris(trideuteriomethyl)azanium;chloridedl Carnitine-d9 Chloride( inverted exclamation markA)-Carnitine-d9 (chloride)(C0) L-Carnitine-d9(3-carboxy-2-hydroxypropyl)tri(?H?)methylazanium chloride3-Carboxy-2-hydroxy-N,N,N-(trimethyl-d9)-1-propanaminium Chloride; (3-Carboxy-2-hydroxypropyl)(trimethyl-d9)ammonium Chloride; Aplegin-d9; Bicarnesine-d9; (+/-)-Carnitine Chloride;DTXSID00661857

名称をさらに表示

DL‐カルニチン‐D9塩酸塩(トリメチル‐D9)D,L カルニチン-D9クロリドＤＬ-カルニチン-d９塩酸塩(トリメチル-d９)D9-DL-carnitine Chloride[2H9]-DL-Carnitine ChlorideDL-Carnitine-(trimethyl-d9) hydrochlorideDl-Carnitine-D9 Hcl (Trimethyl-D9) (Standard)DL-Carnitine-(trimethyl-d9) hydrochloride

HY-B1453S1D,L-CARNITINE HCL (TRIMETHYL-D9)MS-23128CS-0203661D981663-Carboxy-2-hydroxy-N,N,N-tris[(~2~H_3_)methyl]propan-1-aminium chlorideDL-Carnitine-(trimethyl-d9) hydrochloride, 99 atom % D, 98% (CP)

データベース識別子

CAS: 1219386-75-0
PubChem CID: 45038579
DTXSID: DTXSID00661857
EC Number: 693-688-2

物性

構造計算による物性

極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 139

物理化学的性質

貯蔵温度: -20 °C · Store at -20°C
溶解性: 15 mg/ml,DMSO: · DMF: 15 mg/ml,DMSO: 20 mg/ml,Ethanol: 25 mg/ml,PBS (pH 7.2): 10 mg/ml
外見: A crystalline solid
色: White to off-white
安定性: Hygroscopic
InChI: 1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
InChIKey: JXXCENBLGFBQJM-KYRNGWDOSA-N
SMILES: [Cl-].[2H]C([2H])([2H])[N+](CC(O)CC(O)=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: WGK 1
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Vitamin (enzyme cofactor). Essential cofactor of fatty acid metabolism; required for the transport of fatty acids through the inner mitochondrial membrane. Synthetized primarily in the liver and kidney; highest concentrations found in heart and skeletal muscle. Dietary sources include red meat, dairy products, beans, avocado.

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