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Substance Name: Rhodanile blue
RN: 14969-56-3
InChIKey: UYQVPCFMVWEDCA-HRNSWBRFSA-M

Molecular Formula

  • C48-H48-N5-O3.Cl

Molecular Weight

  • 778.392
 
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Names and Synonyms

Name of Substance

  • Rhodanile Blue

Synonyms

  • 3,6-Bis(diethylamino)-9-(2-(((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)amino)carbonyl)phenyl)xanthylium chloride
  • EINECS 239-040-0
  • NSC 326193
  • Rhodanile Blue

Systematic Names

  • 3,6-Bis(diethylamino)-9-(2-(((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)amino)carbonyl)phenyl)xanthylium chloride
  • Ammonium, (6-(diethylamino)-9-(o-((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)carbamoyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, chloride
  • Ethanaminium, N-(6-(diethylamino)-9-(2-(((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)amino)carbonyl)phenyl)-3H-xanthen-3-ylidene)-N-ethyl-, chloride (9CI)
  • Xanthylium, 3,6-bis(diethylamino)-9-(2-(((9-(diethylamino)-5H-benzo(a)phenoxazin-5-ylidene)amino)carbonyl)phenyl)-, chloride

Registry Numbers

CAS Registry Number

  • 14969-56-3

System Generated Number

  • 0014969563

Molecular Formulas

Molecular Formula

  • C48-H48-N5-O3.Cl

Molecular Formula Fragments

  • C48-H48-N5-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1/b50-41-;

InChIKey

UYQVPCFMVWEDCA-HRNSWBRFSA-M

Smiles

c12c(nc3c(o2)cc(N(CC)CC)cc3)c2ccccc2c(\c1)=N\C(c1c(c2c3c(cc(cc3)N(CC)CC)[o+]c3c2ccc(N(CC)CC)c3)cccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 33mg/kg (33mg/kg)   Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.