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Substance Name: Betaine
RN: 107-43-7
UNII: 3SCV180C9W
InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N

Note

  • 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)

Molecular Formula

  • C5-H11-N-O2

Molecular Weight

  • 117.1469
 

Classification Codes

  • Antimetabolites
  • Gastrointestinal Agents
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Lipotropic Agents
  • Natural Product

Names and Synonyms

Name of Substance

  • 1-Carboxy-N,N,N-trimethylmethanaminium hydroxide, inner salt
  • Betaine
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
  • Trimethylglycine

MeSH Heading

  • Betaine

Synonyms

  • (Carboxymethyl)trimethylammonium hydroxide, inner salt
  • 2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt
  • 4-04-00-02369 (Beilstein Handbook Reference)
  • Abromine
  • Acidin-Pepsin
  • AI3-24187
  • AI3-52598
  • alpha-Earleine
  • Betaine
  • BRN 3537113
  • Cystadane
  • EC 203-490-6
  • EINECS 203-490-6
  • Glycine betaine
  • Glycine, trimethylbetaine
  • Glycocoll betaine
  • Glycylbetaine
  • Glykokollbetain
  • Glykokollbetain [German]
  • Hepastyl
  • HSDB 7467
  • Jortaine
  • Loramine AMB 13
  • Lycine
  • Novobetaine
  • NSC 166511
  • Oxyneurine
  • Rubrine C
  • Trimethylaminoacetic acid
  • Trimethylglycine
  • Trimethylglycocoll
  • UNII-3SCV180C9W

Systematic Names

  • Betaine
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt

Registry Numbers

CAS Registry Number

  • 107-43-7

FDA UNII

  • 3SCV180C9W

Other Registry Numbers

  • 11042-12-9
  • 24980-93-6
  • 45631-77-4
  • 590-30-7

Related Registry Number

  • 590-46-5 (hydrochloride)

System Generated Number

  • 0000107437

Structure Descriptors

InChI

1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

InChIKey

KWIUHFFTVRNATP-UHFFFAOYSA-N

Smiles

C[N+](C)(C)CC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 830mg/kg (830mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 529, 1967.
mouse LD50 subcutaneous 10800mg/kg (10800mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FLUID INTAKE
Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 293 dec deg C   EXP
log P (octanol-water) -4.930 (none)   EST
Water Solubility 6.11E+05 mg/L 19 EXP
Vapor Pressure 5.34E-07 mm Hg 25 EST
Henry's Law Constant 6.19E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.