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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H16NO
Molecular Weight 118.1973
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
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

Molecular Formula C6H15NO
Molecular Weight 117.1894
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:37 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:37 GMT 2023
Record UNII
X5I3AE1Q46
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-.BETA.-METHYLCHOLINE
Common Name English
.BETA.-METHYLCHOLINE, D-
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 Sat Dec 16 11:16:37 GMT 2023 , Edited by admin on Sat Dec 16 11:16:37 GMT 2023
PRIMARY
CAS
28835-51-0
Created by admin on Sat Dec 16 11:16:37 GMT 2023 , Edited by admin on Sat Dec 16 11:16:37 GMT 2023
PRIMARY
PUBCHEM
11743787
Created by admin on Sat Dec 16 11:16:37 GMT 2023 , Edited by admin on Sat Dec 16 11:16:37 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER