U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H14NO
Molecular Weight 113.2262
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYL-D9-CHOLINE

SMILES

[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChIKey=OEYIOHPDSNJKLS-GQALSZNTSA-N
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1/i1D3,2D3,3D3

HIDE SMILES / InChI

Molecular Formula C5H13NO
Molecular Weight 112.2183
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:14:16 GMT 2025
Edited
by admin
on Mon Mar 31 23:14:16 GMT 2025
Record UNII
Y1HDI47S6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
J2.078.736H
Preferred Name English
METHYL-D9-CHOLINE
Common Name English
2-HYDROXY-N,N,N-TRIMETHYL-D9-ETHANAMINIUM
Common Name English
(2-HYDROXYETHYL)TRIS((2H3)METHYL)AMINIUM
Common Name English
2-(TRI(2H3)METHYLAMINIO)ETHANOL
Common Name English
Code System Code Type Description
PUBCHEM
16213540
Created by admin on Mon Mar 31 23:14:16 GMT 2025 , Edited by admin on Mon Mar 31 23:14:16 GMT 2025
PRIMARY
DRUG BANK
DB12628
Created by admin on Mon Mar 31 23:14:16 GMT 2025 , Edited by admin on Mon Mar 31 23:14:16 GMT 2025
PRIMARY
CAS
50673-41-1
Created by admin on Mon Mar 31 23:14:16 GMT 2025 , Edited by admin on Mon Mar 31 23:14:16 GMT 2025
PRIMARY
FDA UNII
Y1HDI47S6K
Created by admin on Mon Mar 31 23:14:16 GMT 2025 , Edited by admin on Mon Mar 31 23:14:16 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY