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. It is a naturally occurring choline derivative commonly ingested through diet, with a role in regulating cellular hydration and maintaining cell function.3,4 Homocystinuria is an inherited disorder that leads to the accumulation of homocysteine in plasma and urine. Currently, no treatments are available to correct the genetic causes of homocystinuria. However, in order to normalize homocysteine levels, patients can be treated with vitamin B6 (pyridoxine), vitamin B12 (cobalamin), folate and specific diets.7 Betaine reduces plasma homocysteine levels in patients with homocystinuria.5 Although it is present in many food products, the levels found there are insufficient to treat this condition. The FDA and EMA have approved the product Cystadane (betaine anhydrous, oral solution) for the treatment of homocystinuria,5,7 and the EMA has approved the use of Amversio (betaine anhydrous, oral powder).6
- Accession Number
- DBSALT001448
- Structure
Structure for Betaine hydrochloride (DBSALT001448)
- 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
- External Links
- ChemSpider
- 11058
- ChEMBL
- CHEMBL1201130
- Wikipedia
- Trimethylglycine
- Predicted Properties
Property Value Source Water Solubility 1.86 mg/mL ALOGPS logP -2.7 ALOGPS logP -4.5 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 2.26 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 52.82 m3·mol-1 Chemaxon Polarizability 12.11 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon