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Substance Name: Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone
RN: 113458-66-5
InChIKey: QHRFNBXJWABVQV-WSDLNYQXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N7-O4

Molecular Weight

  • 435.442
 
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Names and Synonyms

Synonym

  • BRN 5672165

Systematic Name

  • Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone

Registry Numbers

CAS Registry Number

  • 113458-66-5

System Generated Number

  • 0113458665

Structure Descriptors

InChI

1S/C21H21N7O4/c1-27-17-21(23-19(30)26-25-17,18(29)28(2)20(27)31)14-8-10-15(11-9-14)24-22-12-13-6-4-5-7-16(13)32-3/h4-12,24H,1-3H3,(H2,23,26,30)/b22-12+

InChIKey

QHRFNBXJWABVQV-WSDLNYQXSA-N

Smiles

C1=2[C@@](c3ccc(N\N=C\c4c(cccc4)OC)cc3)(C(N(C)C(N1C)=O)=O)NC(=O)NN2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 506, 1987.