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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H20N2O5S
Molecular Weight 400.448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 62 FREE ACID

SMILES

NC1=C(C=C(NC2CCCCC2)C3=C1C(=O)C4=C(C=CC=C4)C3=O)S(O)(=O)=O

InChI

InChIKey=GMBNNHLANOGOAU-UHFFFAOYSA-N
InChI=1S/C20H20N2O5S/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/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H20N2O5S
Molecular Weight 400.448
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 00:22:28 GMT 2023
Edited
by admin
on Sat Dec 16 00:22:28 GMT 2023
Record UNII
0D8T209T4M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 62 FREE ACID
Common Name English
1-AMINO-4-(CYCLOHEXYLAMINO)ANTHRAQUINONE-2-SULFONIC ACID
Systematic Name English
1-AMINO-4-(HEXAHYDROANILINO)ANTHRAQUINONE-2-SULFONIC ACID
Systematic Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-4-(CYCLOHEXYLAMINO)-9,10-DIHYDRO-9,10-DIOXO-
Systematic Name English
TELON FAST BLUE R
Common Name English
CI ACID BLUE 62 PARENT
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
227-039-8
Created by admin on Sat Dec 16 00:22:28 GMT 2023 , Edited by admin on Sat Dec 16 00:22:28 GMT 2023
PRIMARY
CAS
5617-28-7
Created by admin on Sat Dec 16 00:22:28 GMT 2023 , Edited by admin on Sat Dec 16 00:22:28 GMT 2023
PRIMARY
PUBCHEM
78075
Created by admin on Sat Dec 16 00:22:28 GMT 2023 , Edited by admin on Sat Dec 16 00:22:28 GMT 2023
PRIMARY
FDA UNII
0D8T209T4M
Created by admin on Sat Dec 16 00:22:28 GMT 2023 , Edited by admin on Sat Dec 16 00:22:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID4045050
Created by admin on Sat Dec 16 00:22:28 GMT 2023 , Edited by admin on Sat Dec 16 00:22:28 GMT 2023
PRIMARY