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

Details

Stereochemistry ACHIRAL
Molecular Formula C40H25N9O14S5.Cu
Molecular Weight 1079.549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REACTIVE BLUE 21

SMILES

[Cu++].OCCS(=O)(=O)C1=CC=C(NS(=O)(=O)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=C7C=C(C=CC7=C([N-]6)N=C8N=C(N=C3[N-]4)C9=C8C=C(C=C9)S(O)(=O)=O)S(O)(=O)=O)C%10=C5C=C(C=C%10)S(O)(=O)=O)C=C1

InChI

InChIKey=WXQMFIJLJLLQIS-UHFFFAOYSA-N
InChI=1S/C40H25N9O14S5.Cu/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39;/h1-12,15-18,49-50H,13-14H2,(H3-2,41,42,43,44,45,46,47,48,55,56,57,58,59,60,61,62,63);/q-2;+2

HIDE SMILES / InChI

Approval Year

Name Type Language
REACTIVE BLUE 21
Common Name English
REACTIVE TURQUOISE BLUE KN-G
Common Name English
REMAZOL TURQUOISE BLUE G
Brand Name English
REMAZOL TURQUOISE BLUE G 133
Brand Name English
REACTIVE EMERALD BLUE KN-G
Common Name English
SUNZOL TURQUOISE BLUE G
Code English
SUMIFIX TURQUOIS BLUE G
Brand Name English
C.I. REACTIVE BLUE 21
Common Name English
Code System Code Type Description
PUBCHEM
72941500
Created by admin on Sat Dec 16 08:00:58 GMT 2023 , Edited by admin on Sat Dec 16 08:00:58 GMT 2023
PRIMARY
FDA UNII
377M303BWG
Created by admin on Sat Dec 16 08:00:58 GMT 2023 , Edited by admin on Sat Dec 16 08:00:58 GMT 2023
PRIMARY
CAS
12236-86-1
Created by admin on Sat Dec 16 08:00:58 GMT 2023 , Edited by admin on Sat Dec 16 08:00:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10893743
Created by admin on Sat Dec 16 08:00:58 GMT 2023 , Edited by admin on Sat Dec 16 08:00:58 GMT 2023
PRIMARY