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Details

Stereochemistry ACHIRAL
Molecular Formula C37H50N2O3
Molecular Weight 570.8045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIHYDRO-3-(4-METHYLPHENYL)-6-(4-(OCTADECYLOXY)PHENYL)PYRROLO(3,4-C)PYRROLE-1,4-DIONE

SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C3C(=O)NC(=C3C(=O)N2)C4=CC=C(C)C=C4

InChI

InChIKey=BDFLTNRTHTWJBI-UHFFFAOYSA-N
InChI=1S/C37H50N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-42-31-25-23-30(24-26-31)35-33-32(36(40)39-35)34(38-37(33)41)29-21-19-28(2)20-22-29/h19-26H,3-18,27H2,1-2H3,(H,38,41)(H,39,40)

HIDE SMILES / InChI

Molecular Formula C37H50N2O3
Molecular Weight 570.8045
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 Sat Dec 16 08:24:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:38 GMT 2023
Record UNII
V4K47G99TL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-DIHYDRO-3-(4-METHYLPHENYL)-6-(4-(OCTADECYLOXY)PHENYL)PYRROLO(3,4-C)PYRROLE-1,4-DIONE
Systematic Name English
PYRROLO(3,4-C)PYRROLE-1,4-DIONE, 2,5-DIHYDRO-3-(4-METHYLPHENYL)-6-(4-(OCTADECYLOXY)PHENYL)-
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 771
Created by admin on Sat Dec 16 08:24:38 GMT 2023 , Edited by admin on Sat Dec 16 08:24:38 GMT 2023
Code System Code Type Description
CAS
850566-76-6
Created by admin on Sat Dec 16 08:24:38 GMT 2023 , Edited by admin on Sat Dec 16 08:24:38 GMT 2023
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EPA CompTox
DTXSID2074586
Created by admin on Sat Dec 16 08:24:38 GMT 2023 , Edited by admin on Sat Dec 16 08:24:38 GMT 2023
PRIMARY
PUBCHEM
59141270
Created by admin on Sat Dec 16 08:24:38 GMT 2023 , Edited by admin on Sat Dec 16 08:24:38 GMT 2023
PRIMARY
FDA UNII
V4K47G99TL
Created by admin on Sat Dec 16 08:24:38 GMT 2023 , Edited by admin on Sat Dec 16 08:24:38 GMT 2023
PRIMARY