重酒石酸コリン

重酒石酸コリン · コリン酒石酸塩 · 2-ヒドロキシ-N,N,N-トリメチルエタンアミニウム·(2R,3R)-2,3-ジヒドロキシ-3-カルボキシラトプロピオン酸 · コリン酒石酸 · 2-ヒドロキシ-N,N,N-トリメチルエタンアミニウム·(2R,3R)-3-カルボキシラト-2,3-ジヒドロキシプロピオン酸 · 酒石酸水素コリン · L-(+)-酒石酸水素コリン · コリン酒石酸水素塩

https://huagongshe.com/ja/chemical/6900

識別子と物理属性

CAS No.	87-67-2
分子式	C5H14NO.C4H5O6
平均分子量	253.25 g/mol
単同位体質量	253.11615195 g/mol
SMILES	C[N+](C)(C)CCO.O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChIKey	QWJSAWXRUVVRLH-LREBCSMRSA-M
PubChem CID	6900
ChEMBL	CHEMBL2105935
EC No.	201-763-4
DTXSID	DTXSID00889332
現地名	重酒石酸コリン

化学・物理的性質

極性表面積	138
水素結合供与体数	4
水素結合受容体数	7
回転可能結合数	4
重原子数	17
形式電荷	0
複雑度	193
臭い	Odorless or faint trimethylamine-like odor無臭またはlt。トリメチルアミン臭
味	Acid taste
食品添加物	NUTRIENT SUPPLEMENT -> FDA Substance added to food
Color/Form	White crystalline powder
溶解度	Freely sol in waterslightly sol in alcoholinsol in ether, chloroform and benzeneDMSO（微量）、メタノール（微量、加温）、水（微量）アルコールに溶け、水にわずかに溶ける。
融点	149-153 °C151-153°C
Other Experimental Properties	Hygroscopic when exposed to air
比旋光度	[α]D20 +15～+18° (c=4, H2O)
沸点	399.3 °C
密度	1.47 g/cm3
引火点	209.4 °C
貯蔵条件	Store at RT.
外観・状態	個体
色	ホワイトからオフホワイト
pH	3.0-4.4 (50g/l, H2O, 20°C)
主な用途	医薬品（低分子化合物）
InChI	1S/C5H14NO.C4H6O6/c1-6(2,3)4-5-75-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H31-2,5-6H,(H,7,8)(H,9,10)/q+1/p-1/t1-,2-/m.1/s1
InChIKey	QWJSAWXRUVVRLH-UHFFFAOYSA-M
SMILES	[O-]C([C@H](O)[C@@H](O)C(O)=O)=O.C[N+](C)(C)CCO
LogP（分配係数）	-1.426 (est)
CAS データベース	87-67-2(CAS DataBase Reference)
EPAの化学物質情報	Choline tartrate (1:1) (87-67-2)

化学的特性

White cryst. powder

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 6.3% (4 of 63) of reports.WarningH315 (93.7%): 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 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with [R-(R,R)]-2,3-dihydroxybutanedioic acid (1:1)Choline bitartrate: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with [R-(R,R)]-2,3-dihydroxybutanedioic acid (1:1): Human health tier I assessment
FDA 要件	Choline bitartrate used as a nutrient in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice.Choline bitartrate used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.Since 1994, dietary supplements have been regulated under the Dietary Supplement Health and Education Act (DSHEA). The DSHEA requires no proof of safety for dietary supplements on the market prior to October 15, 1994. Labeling requirements for such supplements allow warnings and dosage recommendations as well as substantiated "structure or function" claims. All claims must prominently note that they have not been evaluated by the FDA, and they must bear the statement "This product is not intended to diagnose, treat, cure, or prevent any disease".
Special Reports	National Academy of Sciences. Institute of Medicine. Food and Nutrition Board. Dietary Reference Intakes for Thiamin, Riboflavin, Niacin, Vitamin B6, Folate, Vitamin B12, Pantothenic Acid, Biotin, and Choline (1998). Available from: http://www.nal.usda.gov/fnic/DRI//DRI_Thiamin/390-422_150.pdf as of February 28, 2008.
Hazard Classes and Categories	Skin Irrit. 2 (93.7%)
処分方法	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

用途

医薬品原料。

説明

Choline bitartrate is a small molecular weight quaternary amine salt that readily dissociates in water. The benefit of choline salts is the rapid dissolution and availability in the body as free choline as opposed to bound forms, which need to go through several enzymatic steps before the availability of free choline. Choline bitartrate is used in many products, from infant formula to dietary supplements and fortified foods. It dissolves rapidly in the digestive system, providing the free choline needed to meet choline demands.

一般的な説明

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.