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Substance Name: D-arabino-Hexos-2-ulose, bis(((((4-methoxy-3-nitrophenyl)methyl)amino)thioxomethyl)hydrazone)
RN: 122276-81-7
InChIKey: ULYYDOQZTONMID-YZNCCNRFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N8-O10-S2

Molecular Weight

  • 654.679
 
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Names and Synonyms

Synonym

  • Glucosone bis-4-(3-nitro-4-methoxybenzyl)thiosemicarbazone

Systematic Name

  • D-arabino-Hexos-2-ulose, bis(((((4-methoxy-3-nitrophenyl)methyl)amino)thioxomethyl)hydrazone)

Registry Numbers

CAS Registry Number

  • 122276-81-7

System Generated Number

  • 0122276817

Structure Descriptors

InChI

1S/C24H30N8O10S2/c1-41-19-5-3-13(7-16(19)31(37)38)9-25-23(43)29-27-11-15(21(35)22(36)18(34)12-33)28-30-24(44)26-10-14-4-6-20(42-2)17(8-14)32(39)40/h3-8,11,18,21-22,33-36H,9-10,12H2,1-2H3,(H2,25,29,43)(H2,26,30,44)/b27-11+,28-15-/t18-,21-,22-/m1/s1

InChIKey

ULYYDOQZTONMID-YZNCCNRFSA-N

Smiles

COc1ccc(cc1[N+](=O)[O-])CNC(=S)N/N=C/C(=N/NC(=S)NCc2ccc(c(c2)[N+](=O)[O-])OC)/[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.