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Substance Name: Benzo(a)phenazoxonium, 5-(benzylamino)-9-(diethylamino)-, chloride
RN: 4451-88-1
InChIKey: LRUWGEHVTJFGLG-UHFFFAOYSA-M

Molecular Formula

  • C27-H26-N3-O.Cl

Molecular Weight

  • 443.975
 
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Names and Synonyms

Synonyms

  • 5-(Benzylamino)-9-(diethylamino)benzo(a)phenazoxonium chloride
  • C.I. 51185
  • Nilblau
  • Nilblau [German]
  • Nile Blue 2B
  • Nile Blue BB
  • NSC 9612

Systematic Names

  • Benzo(a)phenazoxonium, 5-(benzylamino)-9-(diethylamino)-, chloride
  • Benzo(a)phenoxazin-7-ium, 9-(diethylamino)-5-((phenylmethyl)amino)-, chloride (9CI)

Registry Numbers

CAS Registry Number

  • 4451-88-1

System Generated Number

  • 0004451881

Molecular Formulas

Molecular Formula

  • C27-H26-N3-O.Cl

Molecular Formula Fragments

  • C27-H26-N3-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H26N3O.ClH/c1-3-30(4-2)20-14-15-23-25(16-20)31-26-17-24(28-18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)27(26)29-23;/h5-17,28H,3-4,18H2,1-2H3;1H/q+1;/p-1

InChIKey

LRUWGEHVTJFGLG-UHFFFAOYSA-M

Smiles

c12c3c(c(NCc4ccccc4)cc1[o+]c1cc(N(CC)CC)ccc1n2)cccc3.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 80mg/kg (80mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 204, Pg. 288, 1947.