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Substance Name: Acid blue 3
RN: 3536-49-0
UNII: 8QE473DV1Z
InChIKey: RTMBGDBBDQKNNZ-UHFFFAOYSA-L

Molecular Formula

  • C27-H32-N2-O7-S2.1/2Ca

Molecular Weight

  • 1159.44
 
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Names and Synonyms

Name of Substance

  • Acid Blue 3
  • CI 42051
  • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl- ene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
  • N-(4-((4-(Diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methyl- ene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium, hydroxide, inner salt, calcium salt (2:1)

Synonyms

  • Acid Blue 3
  • Acidal Carmine V
  • Alphazurine 2 G (C.I. 42051)
  • Bleu patente V
  • Bleu patente V [French]
  • Blue ZN 3
  • C.I. 42051
  • C.I. 712
  • C.I. Acid Blue 3
  • C.I. Food Blue 5
  • Carmine Blue V
  • Dai-ei Acid Pure Blue VX
  • E 131
  • EINECS 222-573-8
  • Food Blue 3
  • L-Blau 3
  • L-Blau 3 [German]
  • m-Hydroxytetraethyldiaminotriphenylcarbinol anhydride disulfonic acid calcium salt
  • Merantine Blue V
  • Mitsui Acid Pure Blue VX
  • New Patent Blue A-CE Extra
  • New Patent Blue Extra Pure A
  • NSC 5010
  • NSC 75430
  • Patent Blue
  • Patent Blue V
  • Patent Blue V and L
  • Schultz No. 826
  • Solar Pure Blue VX
  • UNII-8QE473DV1Z

Systematic Names

  • Bis(hydrogen (4-(4-(diethylamino)-5'-hydroxy-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium), calcium salt
  • C.I. Acid Blue 3, calcium salt (2:1) (8CI)
  • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
  • Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 3536-49-0

FDA UNII

  • 8QE473DV1Z

Other Registry Number

  • 50934-74-2

System Generated Number

  • 0003536490

Molecular Formulas

Molecular Formula

  • C27-H32-N2-O7-S2.1/2Ca

Molecular Formula Fragments

  • C27-H32-N2-O7-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2

InChIKey

RTMBGDBBDQKNNZ-UHFFFAOYSA-L

Smiles

C1(\C=C\C(=[N+](\CC)CC)C=C1)=C(/c1ccc(N(CC)CC)cc1)c1c(S(=O)(=O)[O-])cc(c(c1)O)S(=O)(=O)[O-].[Ca+2].C1(=C(/c2ccc(N(CC)CC)cc2)c2cc(O)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])\C=C\C(=[N+](\CC)CC)C=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200mg/kg (1200mg/kg)   FAO Nutrition Meetings Report Series. Vol. 38B, Pg. 71, 1966.
rat LD50 intravenous 5gm/kg (5000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 38B, Pg. 71, 1966.