rac-(R*)-3-カルボキシラト-2-ヒドロキシ-N,N,N-トリメチル-1-プロパンアミニウム
rac-(R*)-N,N,N-トリメチル-3-カルボキシラト-2-ヒドロキシ-1-プロパンアミニウム · rac-(R*)-3-カルボキシラト-2-ヒドロキシ-N,N,N-トリメチル-1-プロパンアミニウム · (±)-カルニチン · 3-カルボキシ-2-ヒドロキシ-N,N,N-トリメチル-1-プロパンアミニウム · DL-カルニチン · N,N,N-トリメチル-3-カルボキシ-2-ヒドロキシ-1-プロパンアミニウム · キャリヤー · Cardiogen
識別子と物理属性
| CAS No. | 406-76-8 |
|---|---|
| 分子式 | C7H15NO3 |
| 平均分子量 | 161.2 g/mol |
| 単同位体質量 | 161.10519334 g/mol |
| SMILES | C[N+](C)(C)CC(O)CC(=O)[O-] |
| InChIKey | PHIQHXFUZVPYII-UHFFFAOYSA-N |
| PubChem CID | 288 |
| ChEMBL | CHEMBL172513 |
| ChEBI | CHEBI:17126 |
| EC No. | 206-976-6 |
| DTXSID | DTXSID3022744 |
| 現地名 | rac-(R*)-3-カルボキシラト-2-ヒドロキシ-N,N,N-トリメチル-1-プロパンアミニウム |
化学・物理的性質
| XLogP | -0.2 |
|---|---|
| 極性表面積 | 60.4 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 134 |
| 化粧品 | Cosmetic ingredients (Carnitine) -> CIR (Cosmetic Ingredient Review)CleansingFoam boosting |
| Dietary Ingredients | Carnitine |
| Collision Cross Section | 131.39 Ų [M]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 融点 | 197-198 °C (decomp) |
| 貯蔵条件 | Store at -20°C |
| 溶解度 | Soluble in DMSO |
| InChI | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 |
| InChIKey | PHIQHXFUZVPYII-UHFFFAOYSA-N |
| SMILES | C(C(O)CC([O-])=O)[N+](C)(C)C |
安全性と法規制
| 規制情報 | Carnitine: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| 暴露経路 | Intravenous, Oral. Absolute bioavailability is 15% (tablets or solution). Time to maximum plasma concentration was found to be 3.3 hours. |
| 毒性の概要 | The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Carnitine...Safe for use in cosmetics, with qualificationsLevocarnitine can be synthesised within the body from the amino acids lysine or methionine. Vitamin C (ascorbic acid) is essential to the synthesis of carnitine. Levocarnitine is a carrier molecule in the transport of long chain fatty acids across the inner mitochondrial membrane. It also exports acyl groups from subcellular organelles and from cells to urine before they accumulate to toxic concentrations. Only the L isomer of carnitine (sometimes called vitamin BT) affects lipid metabolism. Levocarnitine is handled by several proteins in different pathways including carnitine transporters, carnitine translocases, carnitine acetyltransferases and carnitine palmitoyltransferases. |
| Signs and Symptoms | Adverse effects include hypertension, fever, tachycardia and seizures. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Toxicity Data | LD<sub>50</sub> > 8g/kg (mouse, oral). |
| 注意喚起語 | 警告 |
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302 |
用途
解説
① ⇒担体② 半導体中の伝導電子および価電子帯中の正孔のこと．電荷担体(charge carrier)というべきであるが，半導体の分野では単にキャリヤーとよばれる．③ 電子写真の現像剤に用いられ，トナーの運搬と摩擦帯電の役割を担う．粉体現像ではガラス球や鉄粉が用いられ，トナーと摩擦帯電すると同時にトナーを付着させ，静電潜像へ均一に供給する．液体現像では絶縁性の有機溶媒が用いられ，帯電したトナーを均一に分散させる役目をする．④ 疎水性繊維に吸着，拡散して繊維を可塑化し，染料が繊維内部に容易に拡散しうるようにする助剤(染色速度促進剤)．
使用
DL-Carnitine is a Chloride salt free form of D,L-Carnitine Chloride (C184100). Carnitine is a vitamin, essential cofactor of fatty acid metabolism. It is required for the transport of fatty acids through the inner mitochondrial membrane. Synthesized primarily in the liver and kidney; highest concentrations found in heart and skeletal muscle. Dietary sources include red meat, dairy products, beans, avocado.