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Details

Stereochemistry RACEMIC
Molecular Formula C29H55NO4
Molecular Weight 481.7513
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ERUCYLCARNITINE, (±)-

SMILES

CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C

InChI

InChIKey=WDWXOVLPQSTGNY-SEYXRHQNSA-N
InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/b13-12-

HIDE SMILES / InChI

Molecular Formula C29H55NO4
Molecular Weight 481.7513
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:59:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:18 GMT 2023
Record UNII
ZIB8N0V3O9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERUCYLCARNITINE, (±)-
Systematic Name English
1-PROPANAMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-2-(((13Z)-1-OXO-13-DOCOSEN-1-YL)OXY)-, INNER SALT
Systematic Name English
ERUCYLCARNITINE
Systematic Name English
1-PROPANAMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-2-((1-OXO-13-DOCOSENYL)OXY)-, INNER SALT, (Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6441570
Created by admin on Sat Dec 16 10:59:18 GMT 2023 , Edited by admin on Sat Dec 16 10:59:18 GMT 2023
PRIMARY
CAS
36168-22-6
Created by admin on Sat Dec 16 10:59:18 GMT 2023 , Edited by admin on Sat Dec 16 10:59:18 GMT 2023
PRIMARY
FDA UNII
ZIB8N0V3O9
Created by admin on Sat Dec 16 10:59:18 GMT 2023 , Edited by admin on Sat Dec 16 10:59:18 GMT 2023
PRIMARY