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

Details

Stereochemistry ACHIRAL
Molecular Formula C86H166N4O6.2Cl
Molecular Weight 1423.167
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOSTEARYL DILINOLEAMIDOPROPYL BETAINATE CHLORIDE

SMILES

[Cl-].[Cl-].CCCCCCC1C=CC(CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC(C)C)C(C=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC(C)C)C1CCCCCC

InChI

InChIKey=YVSZZOPXTINROB-QGGDQLBLSA-N
InChI=1S/C86H164N4O6.2ClH/c1-11-13-15-49-61-79-67-68-80(62-50-41-38-44-54-66-84(92)88-70-58-72-90(9,10)76-86(94)96-74-56-46-37-30-26-22-18-20-24-28-33-40-48-60-78(5)6)82(81(79)63-51-16-14-12-2)64-52-42-34-31-35-43-53-65-83(91)87-69-57-71-89(7,8)75-85(93)95-73-55-45-36-29-25-21-17-19-23-27-32-39-47-59-77(3)4;;/h52,64,67-68,77-82H,11-51,53-63,65-66,69-76H2,1-10H3;2*1H/b64-52+;;

HIDE SMILES / InChI

Molecular Formula C86H166N4O6
Molecular Weight 1352.2614
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:13:06 GMT 2025
Edited
by admin
on Mon Mar 31 20:13:06 GMT 2025
Record UNII
2BG6GFJ4DU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSTEARYL DILINOLEAMIDOPROPYL BETAINATE CHLORIDE
INCI  
INCI  
Preferred Name English
Code System Code Type Description
FDA UNII
2BG6GFJ4DU
Created by admin on Mon Mar 31 20:13:06 GMT 2025 , Edited by admin on Mon Mar 31 20:13:06 GMT 2025
PRIMARY
CAS
185123-37-9
Created by admin on Mon Mar 31 20:13:06 GMT 2025 , Edited by admin on Mon Mar 31 20:13:06 GMT 2025
PRIMARY
PUBCHEM
131635020
Created by admin on Mon Mar 31 20:13:06 GMT 2025 , Edited by admin on Mon Mar 31 20:13:06 GMT 2025
PRIMARY