Betaine hydrochlorideProduct ingredient for Betaine

Name
Betaine hydrochloride
Drug Entry
Betaine

Betaine is a methyl group donor that functions in the normal metabolic cycle of methionine and reduces homocystinuria in patients with inborn errors of methionine metabolism. In the United States, betaine is distributed under the brand name Cystadane® by Rare Disease Therapeutics. Many reports have shown that betaine's therapeutic effectiveness is limited, and does not lower tHcy levels or prevent clinical symptoms [2].

Accession Number
DBSALT001448
Structure
Thumb
Synonyms
Betaine HCl
UNII
JK8U8K4D6K
CAS Number
590-46-5
Weight
Average: 153.61
Monoisotopic: 153.0556563
Chemical Formula
C5H12ClNO2
InChI Key
HOPSCVCBEOCPJZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
IUPAC Name
2-(trimethylazaniumyl)acetate hydrochloride
SMILES
Cl.C[N+](C)(C)CC([O-])=O
ChemSpider
11058
ChEMBL
CHEMBL1201130
Wikipedia
Trimethylglycine
Predicted Properties
PropertyValueSource
Water Solubility1.86 mg/mLALOGPS
logP-2.7ALOGPS
logP-4.5ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)2.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity52.82 m3·mol-1ChemAxon
Polarizability12.11 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon