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Details

Stereochemistry ACHIRAL
Molecular Formula C40H52N8O4
Molecular Weight 708.8921
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Ethylhexyl 4-[(4,6-bis{[4-(tert-butylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]benzoate

SMILES

CCCCC(CC)COC(=O)C1=CC=C(NC2=NC(NC3=CC=C(C=C3)C(=O)NC(C)(C)C)=NC(NC4=CC=C(C=C4)C(=O)NC(C)(C)C)=N2)C=C1

InChI

InChIKey=KBVOBYVOTKADQC-UHFFFAOYSA-N
InChI=1S/C40H52N8O4/c1-9-11-12-26(10-2)25-52-35(51)29-17-23-32(24-18-29)43-38-45-36(41-30-19-13-27(14-20-30)33(49)47-39(3,4)5)44-37(46-38)42-31-21-15-28(16-22-31)34(50)48-40(6,7)8/h13-24,26H,9-12,25H2,1-8H3,(H,47,49)(H,48,50)(H3,41,42,43,44,45,46)

HIDE SMILES / InChI

Molecular Formula C40H52N8O4
Molecular Weight 708.8921
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:00:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:00:31 GMT 2023
Record UNII
26W9RR8SMH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Ethylhexyl 4-[(4,6-bis{[4-(tert-butylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]benzoate
Systematic Name English
ISCOTRIZINOL RELATED COMPOUND D [USP IMPURITY]
Common Name English
ISCOTRIZINOL DIAMIDE ANALOG [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
166177212
Created by admin on Sat Dec 16 19:00:31 GMT 2023 , Edited by admin on Sat Dec 16 19:00:31 GMT 2023
PRIMARY
FDA UNII
26W9RR8SMH
Created by admin on Sat Dec 16 19:00:31 GMT 2023 , Edited by admin on Sat Dec 16 19:00:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY