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Substance Name: C.I. 71000
RN: 2278-50-4
InChIKey: VUSWQWZUVYOZAY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C45-H19-N3-O4

Molecular Weight

  • 665.662
 
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Names and Synonyms

Results Name

  • C.I. 71000

Synonyms

  • Benzadone Grey M
  • BRN 0875765
  • C.I. 71000
  • C.I. Vat Black 8
  • Caledon Grey M
  • CERN kypova 8
  • CERN kypova 8 [Czech]
  • EINECS 218-906-1
  • Indanthren Grey M
  • Indanthren Grey MG
  • Mikethrene Grey M
  • Mikethrene Grey MG
  • Nihonthrene Grey M
  • Ostanthren Grey M
  • Paradone Grey M
  • Paradone Grey MG
  • Sed ostanthrenova M
  • Sed ostanthrenova M [Czech]
  • Vat Gray S
  • Vat Grey S
  • Vat Grey V

Systematic Names

  • 1H-Benz(6,7)indazole(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridine-2,7,10,15-tetrone
  • 1H-Benz(6,7)indazolo(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridine-2,7,10,15-tetrone
  • 1H-Benz(6,7)indazolo(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridine-5,8,13,25-tetraone
  • 5H-Benz(6,7)indazolo(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridin-5,8,13,25(24H)-tetrone
  • 5H-Benz(6,7)indazolo(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridine-5,8,13,25(24H)-tetrone

Registry Numbers

CAS Registry Number

  • 2278-50-4

Other Registry Number

  • 241813-61-6

System Generated Number

  • 0002278504

Structure Descriptors

InChI

1S/C45H19N3O4/c49-42-24-6-2-1-5-22(24)40-37-29(42)13-10-23-21-9-12-28-33-19(16-18-32(35(21)33)48(47-40)41(23)37)20-15-17-31-34(36(20)45(28)52)27-11-14-30-38(39(27)46-31)44(51)26-8-4-3-7-25(26)43(30)50/h1-18,46H

InChIKey

VUSWQWZUVYOZAY-UHFFFAOYSA-N

Smiles

n12nc3c4c(cccc4)c(c4c3c1c(cc4)c1c3c2ccc2c4c(c5c6c(c7C(c8ccccc8C(c7cc6)=O)=O)[nH]c5cc4)c(c(c32)cc1)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 78, 1986.
rat LD50 oral 11200mg/kg (11200mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1324, 1986.