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Substance Name: Reactive Blue 21
RN: 12236-86-1
UNII: 377M303BWG
InChIKey: WXQMFIJLJLLQIS-UHFFFAOYSA-N

Molecular Weight

  • 1079.5625
 
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Names and Synonyms

Name of Substance

  • Reactive Blue 21

Synonyms

  • Copper(2+) 2-((4-((2-hydroxyethyl)sulfonyl)phenyl)sulfamoyl)-9,16,23-trisulfophthalocyanine-29,31-diide
  • Diamira Turquoise Blue
  • Levafix Turquoise Blue E-G
  • Reactive Blue 21
  • Remasol Turquoise Blue B
  • Remasol Turquoise Blue G
  • Sumifix Turquoise Blue G
  • UNII-377M303BWG

Systematic Name

  • C.I. Reactive Blue 21

Registry Numbers

CAS Registry Number

  • 12236-86-1

FDA UNII

  • 377M303BWG

System Generated Number

  • 0012236861

Structure Descriptors

InChI

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

InChIKey

WXQMFIJLJLLQIS-UHFFFAOYSA-N

Smiles

[Cu+2].OCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)c4nc5nc(nc6[n-]c(nc7nc(nc3[n-]4)c8cc(ccc78)S(=O)(=O)O)c9cc(ccc69)S(=O)(=O)O)c%10cc(ccc5%10)S(=O)(=O)O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5800mg/kg (5800mg/kg)   Current Toxicology. Vol. 1, Pg. 243, 1993.
rat LD50 intraperitoneal 620mg/kg (620mg/kg)   Current Toxicology. Vol. 1, Pg. 243, 1993.
rat LD50 oral > 10gm/kg (10000mg/kg)   Current Toxicology. Vol. 1, Pg. 243, 1993.