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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16N2O7S2
Molecular Weight 472.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-P-TOLUENESULFONAMIDOANTHRACENE-2-SULFONIC ACID

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(N)C3=C2C(=O)C4=CC=CC=C4C3=O)S(O)(=O)=O

InChI

InChIKey=IIZQAPDECJYKDK-UHFFFAOYSA-N
InChI=1S/C21H16N2O7S2/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,28,29,30)

HIDE SMILES / InChI

Molecular Formula C21H16N2O7S2
Molecular Weight 472.491
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 Tue Apr 01 18:53:06 GMT 2025
Edited
by admin
on Tue Apr 01 18:53:06 GMT 2025
Record UNII
D2A3XL838T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-P-TOLUENESULFONAMIDOANTHRACENE-2-SULFONIC ACID
Systematic Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-4-(((4-METHYLPHENYL)SULFONYL)AMINO)-9,10-DIOXO-
Preferred Name English
1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-P-TOLUENESULPHONAMIDOANTHRACENE-2-SULPHONIC ACID
Systematic Name English
1-AMINO-9,10-DIHYDRO-4-(((4-METHYLPHENYL)SULFONYL)AMINO)-9,10-DIOXO-2-ANTHRACENESULFONIC ACID
Systematic Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-P-TOLUENESULFONAMIDO-
Systematic Name English
Code System Code Type Description
PUBCHEM
67203
Created by admin on Tue Apr 01 18:53:06 GMT 2025 , Edited by admin on Tue Apr 01 18:53:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-925-2
Created by admin on Tue Apr 01 18:53:06 GMT 2025 , Edited by admin on Tue Apr 01 18:53:06 GMT 2025
PRIMARY
FDA UNII
D2A3XL838T
Created by admin on Tue Apr 01 18:53:06 GMT 2025 , Edited by admin on Tue Apr 01 18:53:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID9059593
Created by admin on Tue Apr 01 18:53:06 GMT 2025 , Edited by admin on Tue Apr 01 18:53:06 GMT 2025
PRIMARY
CAS
128-98-3
Created by admin on Tue Apr 01 18:53:06 GMT 2025 , Edited by admin on Tue Apr 01 18:53:06 GMT 2025
PRIMARY