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Substance Name: Chocolate brown HT
RN: 4553-89-3
UNII: 067L3J47ID
InChIKey: BIRIBMFCDVVRKL-DBHLKOEUSA-L

Molecular Formula

  • C27-H20-N4-O9-S2.2Na

Molecular Weight

  • 652.57
 
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Names and Synonyms

Name of Substance

  • Chocolate Brown HT

Synonyms

  • 1538 Brown
  • 2,4-Dihydroxy-3,5-di(4-sulpho-1-naphthylazo)benzyl alcohol, disodium salt
  • Brown HT
  • C.I. 20285
  • C.I. Food Brown 3
  • C.I. Food Brown 3, disodium salt
  • Certicol Brown N Extra
  • Certicol Brown RS
  • Chocolate Brown HT
  • EINECS 224-924-0
  • Hexacol Chocolate Brown HT
  • Hned potravinarska 3
  • Hned potravinarska 3 [Czech]
  • UNII-067L3J47ID

Systematic Names

  • 1-Naphthalenesulfonic acid, 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)- m-phenylene)bis(azo))di-, disodium salt
  • 1-Naphthalenesulfonic acid, 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene)bis(azo))bis-, disodium salt
  • Disodium 4,4'-((2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene)bis(azo))bisnaphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 4553-89-3

FDA UNII

  • 067L3J47ID

System Generated Number

  • 0004553893

Molecular Formulas

Molecular Formula

  • C27-H20-N4-O9-S2.2Na

Molecular Formula Fragments

  • C27-H20-N4-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b30-28+,31-29+;;

InChIKey

BIRIBMFCDVVRKL-DBHLKOEUSA-L

Smiles

c12c(c(\N=N\c3c(c(\N=N\c4c5c(c(S(=O)(=O)[O-])cc4)cccc5)cc(c3O)CO)O)ccc1S(=O)(=O)[O-])cccc2.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
rat LD50 intraperitoneal 375mg/kg (375mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
rat LD50 oral > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.