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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H14N2O5S
Molecular Weight 394.401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 25 FREE ACID

SMILES

NC1=C(C=C(NC2=CC=CC=C2)C3=C1C(=O)C4=C(C=CC=C4)C3=O)S(O)(=O)=O

InChI

InChIKey=OPBOOIFXQHPAPJ-UHFFFAOYSA-N
InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H14N2O5S
Molecular Weight 394.401
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 09:08:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:08:52 GMT 2023
Record UNII
P44R6G887X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 25 FREE ACID
Common Name English
ACID BLUE 25 PARENT
Common Name English
NSC-167429
Code English
1-AMINO-4-ANILINO-9,10-ANTHRAQUINONE-2-SULFONIC ACID
Systematic Name English
C.I. ACID BLUE 25 FREE ACID
Common Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-(PHENYLAMINO)-
Systematic Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-4-ANILINO-9,10-DIHYDRO-9,10-DIOXO-
Systematic Name English
CI ACID BLUE 25 FREE ACID
Common Name English
Code System Code Type Description
CAS
2786-71-2
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-508-8
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
FDA UNII
P44R6G887X
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID9045055
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
NSC
167429
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY
PUBCHEM
22916
Created by admin on Sat Dec 16 09:08:52 GMT 2023 , Edited by admin on Sat Dec 16 09:08:52 GMT 2023
PRIMARY