BETAINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A16AA06
UNII: 3SCV180C9W

Structure
InChI Key KWIUHFFTVRNATP-UHFFFAOYSA-O
Smile C[N+](C)(C)CC(=O)O
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12NO2+
Molecular Weight 118.16
AlogP -0.22
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Action Mechanism of Action Reference
SUBSTRATE Betaine-homocysteine S-methyltransferase substrate DailyMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Hyperoxaluria, Primary 2 D006960 ClinicalTrials
Hepatitis C 2 D006526 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Infertility, Male 1 D007248 ClinicalTrials
Hepatitis C, Chronic 0 D019698 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
18.01
Gastrointestinal disorders
12.27
Infections and infestations
10.95
Respiratory, thoracic and mediastinal disorders
9.86
Nervous system disorders
8.31
General disorders and administration site conditions
7.22
Vascular disorders
4.04
Psychiatric disorders
3.73
Skin and subcutaneous tissue disorders
3.42
Metabolism and nutrition disorders
3.11
Cardiac disorders
2.8
Investigations
2.56
Renal and urinary disorders
2.41

Cross References

Resources Reference
CAS NUMBER 107-43-7
ChEBI 41139
ChEMBL CHEMBL95889
DrugBank DB04455
FDA SRS 3SCV180C9W
Human Metabolome Database HMDB0059606
Guide to Pharmacology 4550
PDB BET
PubChem 247
SureChEMBL SCHEMBL134333
ZINC ZINC000001532728
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