BETAINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
ATC A09AB02
UNII JK8U8K4D6K
EPA CompTox DTXSID0044446

Structure

InChI Key HOPSCVCBEOCPJZ-UHFFFAOYSA-N
Smiles C[N+](C)(C)CC(=O)O.[Cl-]
InChI
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12ClNO2
Molecular Weight 153.61
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

Mechanism of Action Action Reference
Betaine-homocysteine S-methyltransferase substrate SUBSTRATE DailyMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82.22-113.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 82.22-113.7

Cross References

Resources Reference
ChEMBL CHEMBL1201130
FDA SRS JK8U8K4D6K
PubChem 11545
SureChEMBL SCHEMBL59207
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