e-Drug3D

756

BETAINE

INN
BETAINE

cas 107-43-7

CLASS

METABOLISM
NUTRIENT
ANTIARTERIOSCLEROTIC
HYPOLIPAEMIC
HEPATOPROTECTANT
TREATMENT OF HOMOCYSTINURIA TO DECREASE ELEVATED HOMOCYSTEINE
ACTS AS A METHYL GROUP DONOR IN THE REMETHYLATION OF HOMOCYSTEINE TO METHIONINE IN PATIENTS WITH HOMOCYSTINURIA BLOOD LEVELS

ROUTE (list)

ORAL

ATC code

A16AA06
A09AB02

PK parameters

Solubility

SOLUBLE IN WATER

Target

PDB
5C2W (KUENENIA STUTTGARTIENSIS HYDRAZINE SYNTHASE PRESSURIZED WITH 20 BAR XENON)

Ligand code = BET (link to the list of PDB complexes)

Download experimental 3D coordinates of BET with added hydrogens

DrugCentral

Unknown

Download SDF file

2,2,2-trichloroethane-1,1-diol; 2-trimethylazaniumylacetate

Formula:
C5H12NO2

Calculated chemical properties:

MW 117.15
NB_atoms 8
XLogP -1.56
PSA 31.122
NB_HD 0
NB_HA 2
fsp3 0.80
Lipinski(0=no;1=yes) 1

FDA
NDA 020576 (label) INN (BETAINE) CYSTADANE (RECORDATI RARE) APPROVAL= AP YEAR= 1996 NEWMOLECULARENTITY
NDA 214864 (pdf not found) INN (BETAINE) BETAINE (NOVITIUM PHARMA) APPROVAL= AP YEAR= 2021
NDA 210508 (pdf not found) INN (BETAINE) BETAINE (ETON) APPROVAL= AP YEAR= 2022