General
Preferred name
betaine
Synonyms
BETAINE HYDROCHLORIDE ()
Chloral betaine ()
Betaine chloride ()
trimethylglycine ()
Glycine betaine ()
lycine ()
oxyneurine ()
Abromine ()
Cystadane ()
betaine anhydrous ()
trimethylglycine, glycine betaine, lycine, oxyneurine ()
Betainum muriaticum ()
NSC-32191 ()
NSC-3976 ()
Betaine HCl ()
Lycine hydrochloride ()
Acidol Pepsin ()
2-(Trimethylammonio)Acetate ()
GLYCINEBETAINE ()
5107 ()
Cloral betaine ()
P&D ID
PD009238
CAS
590-46-5
107-43-7
2218-68-0
11042-13-0
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
1996
Drug Status
nutraceutical
withdrawn
illicit
approved
investigational
Drug indication
Inborn error of metabolism
Replenisher Adjunct (electrolyte)
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Product in choline-betaine osmoregulatory pathway (LOPAC library)
DESCRIPTION Betaine is found in the roots of Beta vulgaris. Betaine protects cells from environmental stress, it reduces cardiovascular disease risk and protects liver cells from alcoholic liver damage and nonalcoholic steatohepatitis. Besides, it has anti-inflammation and tumor preventing capacity. Betaine is a natural compound used in cosmetics material. (BOC Sciences Bioactive Compounds)
Compound Sets
24
BOC Sciences Bioactive Compounds
betaine-cas-107-43-7-81437
Cayman Chemical Bioactives
26814
ChEMBL Approved Drugs
CHEMBL1201130
CHEMBL3833335
ChEMBL Drugs
CHEMBL1201130
CHEMBL3833335
Concise Guide to Pharmacology 2017/18
4550
Concise Guide to Pharmacology 2019/20
4550
Concise Guide to Pharmacology 2021/22
4550
Concise Guide to Pharmacology 2023/24
4550
DrugBank
DB06756
DB01494
DrugBank Approved Drugs
DB06756
DrugCentral
347
DrugCentral Approved Drugs
347
DrugMAP
DMGRZW2
DrugMAP Approved Drugs
DMGRZW2
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS100625
Guide to Pharmacology
4550
LOPAC library
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
3SCV180C9W
Selleckchem Bioactive Compound Library
betaine
TargetMol Bioactive Compound Library
T0019
T3243
The Spectrum Collection
Withdrawn 2.0
DB01494
External IDs
73
Properties
(calculated by RDKit )
Molecular Weight
117.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.56
TPSA
40.13
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.41
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Target
Glycine betaine-binding periplasmic protein
Circadian clock protein KaiB
MOA
Chloride channel inhibitor
ATC
N
Biosynthetic Origin
Other (Amino Acid)
Therapeutic Indication
Homocystinuria
Therapeutic Class
Metabolic Disorders
Solubility
at water
Source data