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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H9NO5S
Molecular Weight 303.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-AMINOANTHRAQUINONE-5-SULFONIC ACID

SMILES

NC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(=CC=C3)S(O)(=O)=O

InChI

InChIKey=BEQOZTJJZZOVBR-UHFFFAOYSA-N
InChI=1S/C14H9NO5S/c15-9-5-1-3-7-11(9)13(16)8-4-2-6-10(21(18,19)20)12(8)14(7)17/h1-6H,15H2,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C14H9NO5S
Molecular Weight 303.29
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 12:29:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:05 GMT 2023
Record UNII
XPX6D8T2NS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-AMINOANTHRAQUINONE-5-SULFONIC ACID
Common Name English
5-AMINO-9,10-DIHYDRO-9,10-DIOXOANTHRACENESULPHONIC ACID
Systematic Name English
1-ANTHRACENESULFONIC ACID, 5-AMINO-9,10-DIHYDRO-9,10-DIOXO-
Systematic Name English
1-AMINOANTHRAQUINONE-5-SULPHONIC ACID
Common Name English
1-ANTHRACENESULPHONIC ACID, 5-AMINO-9,10-DIHYDRO-9,10-DIOXO-
Systematic Name English
5-AMINO-9,10-DIHYDRO-9,10-DIOXOANTHRACENESULFONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60193947
Created by admin on Sat Dec 16 12:29:05 GMT 2023 , Edited by admin on Sat Dec 16 12:29:05 GMT 2023
PRIMARY
PUBCHEM
77724
Created by admin on Sat Dec 16 12:29:05 GMT 2023 , Edited by admin on Sat Dec 16 12:29:05 GMT 2023
PRIMARY
CAS
4095-82-3
Created by admin on Sat Dec 16 12:29:05 GMT 2023 , Edited by admin on Sat Dec 16 12:29:05 GMT 2023
PRIMARY
FDA UNII
XPX6D8T2NS
Created by admin on Sat Dec 16 12:29:05 GMT 2023 , Edited by admin on Sat Dec 16 12:29:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-845-9
Created by admin on Sat Dec 16 12:29:05 GMT 2023 , Edited by admin on Sat Dec 16 12:29:05 GMT 2023
PRIMARY