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Substance Name: 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethylphenyl)-
RN: 72239-52-2
InChIKey: FDICQUYCQNIVKV-UHFFFAOYSA-N

Molecular Formula

  • C20-H26-N6-O3

Molecular Weight

  • 398.464
 
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Names and Synonyms

  • 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(3,4-dimethylphenyl)-

Registry Numbers

CAS Registry Number

  • 72239-52-2

System Generated Number

  • 0072239522

Structure Descriptors

InChI

1S/C20H26N6O3/c1-13-3-4-15(9-14(13)2)16-28-11-20(10-27,12-29-16)24-17-21-18(25-5-6-25)23-19(22-17)26-7-8-26/h3-4,9,16,27H,5-8,10-12H2,1-2H3,(H,21,22,23,24)

InChIKey

FDICQUYCQNIVKV-UHFFFAOYSA-N

Smiles

C1(Nc2nc(N3CC3)nc(n2)N2CC2)(COC(c2cc(c(C)cc2)C)OC1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 9286ug/kg (9.286mg/kg)   Journal of Soviet Oncology. Vol. 1, Pg. 239, 1980.