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Substance Name: Cellu-brite
RN: 133-66-4
UNII: CRN2143Y31
InChIKey: HOSFCSQXJQXSIQ-ZPZFBZIMSA-L

Note

  • Fluorescent whitening agent; optical brightener.

Molecular Formula

  • C44-H36-N12-O6-S2.2Na

Molecular Weight

  • 936.943
 
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Names and Synonyms

Name of Substance

  • Cellu-brite

Synonyms

  • 4,4'-Bis((4,6-dianilino-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid disodium salt
  • Belophor OD
  • Blankophor HZPA
  • C.I. 40621
  • C.I. Fluorescent Brightener 9
  • Calcofluor White MR
  • Cellu-brite
  • Compound 19-28
  • Disodium 4,4'-bis((4,6-dianilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonate
  • EC 205-117-2
  • EINECS 205-117-2
  • OZP 9
  • OZP 9 [Czech]
  • UNII-CRN2143Y31

Systematic Names

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4,6-dianilino-s-triazin-2-yl)amino)-, disodium salt
  • 4,4'-Bis(4,6-dianilino-1,3,5-triazin-2-yl)aminostilbene-2,2'-disulfonate disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4,6-bis(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4,6-bis(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4,4'-bis((4,6-dianilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 133-66-4

FDA UNII

  • CRN2143Y31

Other Registry Numbers

  • 122414-16-8
  • 34351-24-1
  • 61550-54-7
  • 878766-85-9

System Generated Number

  • 0000133664

Molecular Formulas

Molecular Formula

  • C44-H36-N12-O6-S2.2Na

Molecular Formula Fragments

  • C44-H36-N12-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2/b22-21+;;

InChIKey

HOSFCSQXJQXSIQ-ZPZFBZIMSA-L

Smiles

S(c1cc(Nc2nc(Nc3ccccc3)nc(n2)Nc2ccccc2)ccc1\C=C\c1c(cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral > 7gm/kg (7000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 176, 1963.
rabbit LD50 oral > 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 176, 1963.
rat LD50 intraperitoneal 1090mg/kg (1090mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
rat LD50 oral > 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 176, 1963.