General
Preferred name
N,N,N-trimethylglycinium
Synonyms
BETAINE HYDROCHLORIDE ()
Betaine chloride ()
betaine ()
Cystadane ()
Abromine ()
NSC-166511 ()
betaine anhydrous ()
Betaine, anhydrous ()
FEMA NO. 4223 ()
P&D ID
PD006200
CAS
6640-00-2
Tags
natural product
drug
available
Drug Status
experimental
investigational
approved
Max Phase
Phase 4
Drug indication
Replenisher Adjunct (electrolyte)
First approval
1996
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
NPC Screening Collection
Other bioactive compounds
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
118.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.22
TPSA
37.3
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
0.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
homocystinuria
MOA
Nitric oxide donor
Source data
