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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H16NO
Molecular Weight 118.1973
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of D-.BETA.-METHYLCHOLINE

SMILES

C[C@@H](O)C[N+](C)(C)C

InChI

InChIKey=JPKKMFOXWKNEEN-ZCFIWIBFSA-N
InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1/t6-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
.BETA.-METHYLCHOLINE, D-
Preferred Name English
D-.BETA.-METHYLCHOLINE
Common Name English
AMMONIUM, (2-HYDROXYPROPYL)TRIMETHYL-, D-
Systematic Name English
1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
X5I3AE1Q46
Created by admin on Mon Mar 31 23:44:15 GMT 2025 , Edited by admin on Mon Mar 31 23:44:15 GMT 2025
PRIMARY
CAS
28835-51-0
Created by admin on Mon Mar 31 23:44:15 GMT 2025 , Edited by admin on Mon Mar 31 23:44:15 GMT 2025
PRIMARY
PUBCHEM
11743787
Created by admin on Mon Mar 31 23:44:15 GMT 2025 , Edited by admin on Mon Mar 31 23:44:15 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966