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Substance Name: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-, ((4-(dimethylamino)phenyl)(phenylazo)methylene)hydrazide
RN: 109901-87-3
InChIKey: RXHCPDLBLYTBDU-BXTLVKRHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H26-N8-O-S

Molecular Weight

  • 534.6454
 
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Names and Synonyms

Synonym

  • BRN 6028155

Systematic Name

  • 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-, ((4-(dimethylamino)phenyl)(phenylazo)methylene)hydrazide

Registry Numbers

CAS Registry Number

  • 109901-87-3

System Generated Number

  • 0109901873

Structure Descriptors

InChI

1S/C29H26N8OS/c1-19-31-26(17-21-18-30-25-12-8-7-11-24(21)25)28(38)37(19)29(39)35-34-27(33-32-22-9-5-4-6-10-22)20-13-15-23(16-14-20)36(2)3/h4-18,30H,1-3H3,(H,35,39)/b26-17+,33-32+,34-27-

InChIKey

RXHCPDLBLYTBDU-BXTLVKRHSA-N

Smiles

CC1=N/C(=C/c2c[nH]c3c2cccc3)/C(=O)N1C(=S)N/N=C(/c4ccc(cc4)N(C)C)\N=N\c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 500mg/kg (500mg/kg)   Pharmazie. Vol. 42, Pg. 269, 1987.