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Substance Name: Pyronine B
RN: 2150-48-3
UNII: N3P889IX5O
InChIKey: CXZRDVVUVDYSCQ-UHFFFAOYSA-M

Note

  • Merck as dimer with 2(FeCl3).

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H27-N2-O.Cl

Molecular Weight

  • 358.9103
 
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Names and Synonyms

Name of Substance

  • Pyronine B

Synonyms

  • (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride
  • AI3-52461
  • Ammonium, (6-diethylamino-3H-xanthen-3-ylidene)diethyl-, chloride
  • Ammonium, diethyl(6-(diethylamino)-3H-xanthen-3-ylidene)-, chloride
  • C.I. 45010
  • E tetraethylpyronin
  • EINECS 218-429-9
  • N-(6-(Diethylamino)-3H-xanthen-3-ylidine)-N-ethylethanaminium chloride
  • NSC 44690
  • Pyronin B
  • Pyronine B
  • Pyronine B(By)
  • Pyronine B, purified
  • UNII-N3P889IX5O

Systematic Names

  • 3,6-Bis(diethylamino)xanthylium chloride
  • Ammonium, (6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride
  • Ethanaminium, N-(6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, chloride (9CI)
  • Xanthylium, 3,6-bis(diethylamino)-, chloride
  • Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 2150-48-3

FDA UNII

  • N3P889IX5O

Related Registry Number

  • 62669-69-6 (perchlorate)

System Generated Number

  • 0002150483

Molecular Formulas

Molecular Formula

  • C21-H27-N2-O.Cl

Molecular Formula Fragments

  • C21-H27-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

CXZRDVVUVDYSCQ-UHFFFAOYSA-M

Smiles

CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15100ug/kg (15.1mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.000 (none)   EST
Atmospheric OH Rate Constant 4.47E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.