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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H11NO2.C4H5NO4.Na.H
Molecular Weight 272.2308
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAINE SODIUM ASPARTATE

SMILES

[H+].[Na+].C[N+](C)(C)CC([O-])=O.N[C@@H](CC([O-])=O)C([O-])=O

InChI

InChIKey=BWMSNENCCODNRG-TYOUJGAFSA-M
InChI=1S/C5H11NO2.C4H7NO4.Na/c1-6(2,3)4-5(7)8;5-2(4(8)9)1-3(6)7;/h4H2,1-3H3;2H,1,5H2,(H,6,7)(H,8,9);/q;;+1/p-1/t;2-;/m.0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H11NO2
Molecular Weight 117.1463
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H6NO4
Molecular Weight 132.0947
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Betaine sodium aspartate is a medication, containing sodium aspartate (a salt of non-essential amino acid), and amino acid derivative betaine (trimethylglycine). Betaine is structurally related to choline and serves as a methyl donor. The donation of methyl groups by betaine is important to proper liver function, cellular replication, and detoxification reactions. Dietary sources of betaine include fish, beets, and legumes. Betaine sodium aspartate is available as over-the-counter medicine is some European countries under the tradename Somatyl. It is indicated as an adjuvant treatment in digestive failure.

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:08:41 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:41 GMT 2025
Record UNII
72E8VPX14H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOMATYL
Preferred Name English
BETAINE SODIUM ASPARTATE
MI   WHO-DD  
Common Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, L-ASPARTATE (1:1), MONOSODIUM SALT
Common Name English
Betaine sodium aspartate [WHO-DD]
Common Name English
L-ASPARTIC ACID, ION(1-), 1-CARBOXY-N,N,N-TRIMETHYLMETHANAMINIUM, MONOSODIUM SALT
Common Name English
BETAINE SODIUM ASPARTATE [MI]
Common Name English
(CARBOXYMETHYL)TRIMETHYLAMMONIUM HYDROGEN ASPARTATE, SODIUM SALT
Common Name English
Code System Code Type Description
MERCK INDEX
m2451
Created by admin on Mon Mar 31 22:08:41 GMT 2025 , Edited by admin on Mon Mar 31 22:08:41 GMT 2025
PRIMARY Merck Index
FDA UNII
72E8VPX14H
Created by admin on Mon Mar 31 22:08:41 GMT 2025 , Edited by admin on Mon Mar 31 22:08:41 GMT 2025
PRIMARY
PUBCHEM
87506471
Created by admin on Mon Mar 31 22:08:41 GMT 2025 , Edited by admin on Mon Mar 31 22:08:41 GMT 2025
PRIMARY
CAS
93227-64-6
Created by admin on Mon Mar 31 22:08:41 GMT 2025 , Edited by admin on Mon Mar 31 22:08:41 GMT 2025
PRIMARY