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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H16N3O6S.Na
Molecular Weight 473.434
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 40

SMILES

[Na+].CC(=O)NC1=CC=C(NC2=CC(=C(N)C3=C2C(=O)C4=C(C=CC=C4)C3=O)S([O-])(=O)=O)C=C1

InChI

InChIKey=NTOOJLUHUFUGQI-UHFFFAOYSA-M
InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C22H16N3O6S
Molecular Weight 450.444
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 09:02:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:02:57 GMT 2023
Record UNII
WA81N3PV2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 40
Common Name English
NSC-366218
Code English
C.I. 62125
Code English
2-ANTHRACENESULFONIC ACID, 4-(P-ACETAMIDOANILINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, MONOSODIUM SALT
Systematic Name English
2-ANTHRACENESULFONIC ACID, 4-(P-ACETAMIDOANILINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, SODIUM SALT
Systematic Name English
C.I. ACID BLUE 40
Common Name English
SODIUM 1-AMINO-4-(4-ACETAMIDOANILINO)ANTHRAQUINONE-2-SULFONATE
Systematic Name English
4-(P-ACETAMIDOANILINO)-1-AMINO-2-ANTHRAQUINONESULFONIC ACID MONOSODIUM SALT
Systematic Name English
CI 62125
Code English
CI ACID BLUE 40
Common Name English
C.I. ACID BLUE 40 SODIUM SALT
Common Name English
2-ANTHRACENESULFONIC ACID, 4-((4-(ACETYLAMINO)PHENYL)AMINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, MONOSODIUM SALT
Systematic Name English
CI ACID BLUE 40 SODIUM SALT
Common Name English
2-ANTHRACENESULFONIC ACID, 4-((4-(ACETYLAMINO)PHENYL)AMINO)-1-AMINO-9,10-DIHYDRO-9,10-DIOXO-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9037030
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY
NSC
366218
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY
PUBCHEM
23672996
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-190-5
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY
CAS
6424-85-7
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY
FDA UNII
WA81N3PV2R
Created by admin on Sat Dec 16 09:02:57 GMT 2023 , Edited by admin on Sat Dec 16 09:02:57 GMT 2023
PRIMARY