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Substance Name: Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 15,18-dinitro-
RN: 67446-03-1
InChIKey: PFCKWBBXWHDJRJ-UHFFFAOYSA-N

Molecular Formula

  • C34-H14-N2-O6

Molecular Weight

  • 546.493
 
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Names and Synonyms

Synonyms

  • 15,18-Dinitroanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione
  • Vat Black K
  • Vat Black S

Systematic Name

  • Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 15,18-dinitro-

Registry Numbers

CAS Registry Number

  • 67446-03-1

System Generated Number

  • 0067446031

Structure Descriptors

InChI

1S/C34H14N2O6/c37-33-19-7-3-1-5-15(19)29-25(35(39)40)13-23-24-14-26(36(41)42)30-16-6-2-4-8-20(16)34(38)22-12-10-18(28(24)32(22)30)17-9-11-21(33)31(29)27(17)23/h1-14H

InChIKey

PFCKWBBXWHDJRJ-UHFFFAOYSA-N

Smiles

c12c3c4c5c(cccc5)C(c3ccc2c2ccc3c5c2c(c1cc4[N+](=O)[O-])cc([N+](=O)[O-])c5c1c(cccc1)C3=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.
rat LD50 intraperitoneal 3gm/kg (3000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.
rat LD50 oral 10gm/kg (10000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.