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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H20Cl2N2O2
Molecular Weight 487.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-dichloro-1,4-di(4-toluidino)anthra-9,10-quinone

SMILES

CC1=CC=C(NC2=C3C(=O)C4=CC(Cl)=C(Cl)C=C4C(=O)C3=C(NC5=CC=C(C)C=C5)C=C2)C=C1

InChI

InChIKey=UHUSIGIXPSHDGG-UHFFFAOYSA-N
InChI=1S/C28H20Cl2N2O2/c1-15-3-7-17(8-4-15)31-23-11-12-24(32-18-9-5-16(2)6-10-18)26-25(23)27(33)19-13-21(29)22(30)14-20(19)28(26)34/h3-14,31-32H,1-2H3

HIDE SMILES / InChI

Molecular Formula C28H20Cl2N2O2
Molecular Weight 487.377
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 12:02:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:35 GMT 2023
Record UNII
R5CC7V6GNV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-dichloro-1,4-di(4-toluidino)anthra-9,10-quinone
Systematic Name English
6,7-dichloro-1,4-bis(4-methylanilino)anthracene-9,10-dione
Systematic Name English
6,7-Dichloro-1,4-bis[(4-methylphenyl)amino]-9,10-anthracenedione
Systematic Name English
6,7-dichloro-1,4-bis[(4-methylphenyl)amino]anthracene-9,10-dione
Systematic Name English
NSC-319991
Code English
9,10-ANTHRACENEDIONE, 6,7-DICHLORO-1,4-BIS((4-METHYLPHENYL)AMINO)-
Systematic Name English
6,7-Dichloro-1,4-bis[(4-methylphenyl)amino]anthraquinone
Systematic Name English
Anthraquinone, 6,7-dichloro-1,4-di-p-toluidino-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
274-823-0
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY
NSC
319991
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID5072141
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY
FDA UNII
R5CC7V6GNV
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY
PUBCHEM
72749
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY
CAS
70729-59-8
Created by admin on Sat Dec 16 12:02:35 GMT 2023 , Edited by admin on Sat Dec 16 12:02:35 GMT 2023
PRIMARY