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Substance Name: D-arabino-Hexos-2-ulose, bis((((3-chlorophenyl)amino)thioxomethyl)hydrazone)
RN: 122276-80-6
InChIKey: RJVMQLVBQIUJKC-IGXNLNORSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C20-H22-Cl2-N6-O4-S2

Molecular Weight

  • 545.4698
 
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Names and Synonyms

Synonym

  • Glucosone bis-4-(3-chlorophenyl)thiosemicarbazone

Systematic Name

  • D-arabino-Hexos-2-ulose, bis((((3-chlorophenyl)amino)thioxomethyl)hydrazone)

Registry Numbers

CAS Registry Number

  • 122276-80-6

System Generated Number

  • 0122276806

Structure Descriptors

InChI

1S/C20H22Cl2N6O4S2/c21-11-3-1-5-13(7-11)24-19(33)27-23-9-15(17(31)18(32)16(30)10-29)26-28-20(34)25-14-6-2-4-12(22)8-14/h1-9,16-18,29-32H,10H2,(H2,24,27,33)(H2,25,28,34)/b23-9+,26-15-/t16-,17-,18-/m1/s1

InChIKey

RJVMQLVBQIUJKC-IGXNLNORSA-N

Smiles

c1cc(cc(c1)Cl)NC(=S)N/N=C/C(=N/NC(=S)Nc2cccc(c2)Cl)/[C@H]([C@@H]([C@@H](CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 425, 1989.