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Details

Stereochemistry ACHIRAL
Molecular Formula C36H21Cl4N5O5
Molecular Weight 745.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[[5-(Benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]azo]-N,N'-bis(2,3-dichlorophenyl)propanediamide

SMILES

ClC1=C(Cl)C(NC(=O)C(\N=N\C2=C3C(=O)C4=C(C(NC(=O)C5=CC=CC=C5)=CC=C4)C(=O)C3=CC=C2)C(=O)NC6=CC=CC(Cl)=C6Cl)=CC=C1

InChI

InChIKey=UYUMJRLBPXJPGE-JQOKOOLQSA-N
InChI=1S/C36H21Cl4N5O5/c37-21-12-6-16-25(29(21)39)42-35(49)31(36(50)43-26-17-7-13-22(38)30(26)40)45-44-24-15-5-11-20-28(24)33(47)19-10-4-14-23(27(19)32(20)46)41-34(48)18-8-2-1-3-9-18/h1-17,31H,(H,41,48)(H,42,49)(H,43,50)/b45-44+

HIDE SMILES / InChI

Molecular Formula C36H21Cl4N5O5
Molecular Weight 745.394
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:18:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:30 GMT 2023
Record UNII
WA6KG94XSE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[5-(Benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]azo]-N,N'-bis(2,3-dichlorophenyl)propanediamide
Systematic Name English
Propanediamide, 2-[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]azo]-N,N′-bis(2,3-dichlorophenyl)-
Common Name English
2-[2-[5-(Benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]diazenyl]-N1,N3-bis(2,3-dichlorophenyl)propanediamide
Systematic Name English
Propanediamide, 2-[2-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]diazenyl]-N1,N3-bis(2,3-dichlorophenyl)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-301-9
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID7070684
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
FDA UNII
WA6KG94XSE
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
CAS
67837-03-0
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY