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

Details

Stereochemistry RACEMIC
Molecular Formula C52H100NO8P
Molecular Weight 898.3261
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIERUCOYLPHOSPHATIDYLCHOLINE, DL-

SMILES

CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=SDEURMLKLAEUAY-YEUCEMRASA-N
InChI=1S/C52H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-

HIDE SMILES / InChI

Approval Year

Name Type Language
DIERUCOYLPHOSPHATIDYLCHOLINE, DL-
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-((1-OXO-13-DOCOSENYL)OXY)-, INNER SALT, 4-OXIDE, (Z,Z)-
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(((13Z)-1-OXO-13-DOCOSEN-1-YL)OXY)-, INNER SALT, 4-OXIDE, (22Z)-
Common Name English
1,2-Dierucoylphosphatidylcholine
Systematic Name English
3,5,9-TRIOXA-4-PHOSPHAHENTRIACONT-22-EN-1-AMINIUM, 4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-(((13Z)-1-OXO-13-DOCOSENYL)OXY)-, INNER SALT, 4-OXIDE, (22Z)-
Common Name English
Code System Code Type Description
RXCUI
1855891
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY
MESH
C500050
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY
CAS
56649-39-9
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY
SMS_ID
100000177602
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY
PUBCHEM
11614905
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY
FDA UNII
47117161LD
Created by admin on Fri Dec 15 16:32:31 GMT 2023 , Edited by admin on Fri Dec 15 16:32:31 GMT 2023
PRIMARY