2-Ethylhexyl 4-[(4,6-bis{[4-(tert-butylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)amino]benzoate

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

Structure Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 19:00:31 UTC 2023`
Record UNII	26W9RR8SMH
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 19:00:31 UTC 2023

PRIMARY

FDA UNII

26W9RR8SMH

Created by admin on Sat Dec 16 19:00:31 UTC 2023 , Edited by admin on Sat Dec 16 19:00:31 UTC 2023

PRIMARY

Related Record Type Details


					2UTZ0QC864

ISCOTRIZINOL

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