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Substance Name: Nile Blue sulfate
RN: 3625-57-8
InChIKey: XZPFCLQILQGYED-UHFFFAOYSA-L

Molecular Formulas

  • C20-H20-N3-O.1/2O4-S
  • C40-H40-N6-O2.O4-S

Molecular Weight

  • 732.858
 
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Names and Synonyms

Results Name

  • Nile Blue sulfate

Synonyms

  • 5H-Benzo(a)phenazoxazine, 9-(diethylamino)-5-imino-, sulfate (2:1)
  • EINECS 222-832-5
  • Nile Blue A sulfate
  • Nile Blue sulfate
  • NSC 3250
  • NSC 34914

Systematic Names

  • Benzo(a)phenoxazin-7-ium, 5-amino-9-(diethylamino)-, sulfate (2:1)
  • Bis(5-amino-9-(diethylamino)benzo(a)phenoxazin-7-ium) sulphate

Registry Numbers

CAS Registry Number

  • 3625-57-8

Related Registry Number

  • 2381-85-3 (Parent)

System Generated Number

  • 0003625578

Molecular Formulas

Molecular Formulas

  • C20-H20-N3-O.1/2O4-S
  • C40-H40-N6-O2.O4-S

Molecular Formula Fragments

  • C20-H20-N3-O
  • C40-H40-N6-O2
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C20H20N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12H,3-4,21H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

XZPFCLQILQGYED-UHFFFAOYSA-L

Smiles

c12c3c(c(N)cc1[o+]c1cc(ccc1n2)N(CC)CC)cccc3.c12c3c(c(N)cc1[o+]c1cc(N(CC)CC)ccc1n2)cccc3.S(=O)(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 46, 1952.
mouse LDLo intravenous 27mg/kg (27mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.