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Betaine chloride

Betaine chloride structure

CAS No:
590-46-5
Formula:
C5H12NO2.Cl
Chemical Name:
Betaine chloride
Synonyms:
Methanaminium,1-carboxy-N,N,N-trimethyl-,chloride (1:1);Betaine,hydrochloride;Methanaminium,1-carboxy-N,N,N-trimethyl-,chloride;Pluchine;Acidine;Acidol;Acidol hydrochloride;Betaine chloride;Acidin;Glycocoll betaine hydrochloride;Achylin;Acidogeno;Acinorm;Acipepsol;Aciventral forte;(Carboxymethyl)trimethylammonium chloride;Glycine betaine hydrochloride;Rubrine C hydrochloride;1-Carboxy-N,N,N-trimethylmethanaminium chloride;Trimethylglycine hydrochloride;Trimethylglycine hydrochloride salt;125883-10-5;141-58-2;11042-13-0;67332-80-3;771476-78-9
Categories:
Chemical Reagents > Organic Reagents

Description

Betaine hydrochloride is a natural compound found in many foods and also an active methyl-donor which can maintain normal DNA methylation patterns.

Betaine Hydrochloride is the hydrochloride form of betaine, a crystalline alkaloid occurring in sugar beets and other plants. Betaine, acting as a transmethylating metabolic intermediate, is the oxidation product of choline. Betaine hydrochloride is used as a gastric acidifier supplement.|A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)

Betaine chloride Basic Attributes

Molecular Weight：

153.60700

Exact Mass：

153.05600

EC Number：

209-683-1

UNII：

JK8U8K4D6K

NSC Number：

758207|32191|3976

DSSTox ID：

DTXSID0044446

NCI Thesaurus Code：

C82301

ATC Code：

A16AA06|A - Alimentary tract and metabolism

HScode：

2923900090

Characteristics

PSA：

37.30000

XLogP3：

-3.21880

Appearance：

colorless to white crystals

Density：

1 g/cm3

Melting Point：

241-242 °C

Water Solubility：

H2O: 64.7 g/100 mL (25 ºC)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Collision Cross Section：

122.5 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36

safety instructions：

S24/25

RTECS Number：

BP3136000

Marks：

Xi; Xn

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Danger|H318 (47.83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, P310, and P337+P313|Aggregated GHS information provided by 123 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

Adjunctive treatment of homocystinuria, involving deficiencies or defects in:cystathionine beta-synthase (CBS);5,10-methylene-tetrahydrofolate reductase (MTHFR);cobalamin cofactor metabolism (cbl).Cystadane should be used as supplement to other therapies such as vitamin B6 (pyridoxine), vitamin B12 (cobalamin), folate and a specific diet.

MeSH：

Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues. (See all compounds classified as Lipotropic Agents.)|Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

MeSH Entry Terms：

Acidin Pepsin

Betaine chloride Use and Manufacturing

Methods of Manufacturing

To the reaction flask, 335 g (2 mol) of betaine methyl ester hydrochloride was added, and 350 g of water and 5 g (1.5percent) of self-developed Ti-SiO363 g (2 mol) of betaine ethyl ester hydrochloride was added to the reaction flask, and 500 g of water and 10 g (2.75percent) of theself-developed Ti-SiOTo the reaction flask was added 420 (2 mol) g of betaine butyl ester hydrochloride, and 838 g of water and 12.6 g (3percent) of self-developed Ti-SiO

Uses

1. Antiarteriosclerotic, hypolipaemic, hepatoprotectant
2. Antiprotozoal, coccidiostat
3. Betaine is used as gastric acidifier.

Manufacturing Info：

Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE

Use Classification：

Human drugs -> Cystadane -> EMA Drug Category|Other alimentary tract and metabolism products -> Human pharmacotherapeutic group|Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:153.61
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:153.0556563
Monoisotopic Mass:153.0556563
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:93.1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Trimethylamine

Chloroacetic acid

Downstream Products

Carbon dioxide

Tetramethylammonium chloride

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