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Substance Name: m-Dioxane-5-methanol, 2-phenyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-
RN: 72239-51-1
InChIKey: VPZWBHONOYDQMO-UHFFFAOYSA-N

Molecular Formula

  • C18-H22-N6-O3

Molecular Weight

  • 370.411
 
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Names and Synonyms

Synonyms

  • 1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-phenyl-
  • 5-(4,6-Diaziridinyl-2-s-triaziridinylamino)-2-phenyl-m-dioxane-5-methanol
  • s-Triazine, 4,6-diaziridinyl-2-(2-phenyl-5-hydroxymethyl-m-dioxan-5-ylamino)-

Systematic Name

  • m-Dioxane-5-methanol, 2-phenyl-5-(4,6-diaziridinyl-2-s-triazinylamino)-

Registry Numbers

CAS Registry Number

  • 72239-51-1

System Generated Number

  • 0072239511

Structure Descriptors

InChI

1S/C18H22N6O3/c25-10-18(11-26-14(27-12-18)13-4-2-1-3-5-13)22-15-19-16(23-6-7-23)21-17(20-15)24-8-9-24/h1-5,14,25H,6-12H2,(H,19,20,21,22)

InChIKey

VPZWBHONOYDQMO-UHFFFAOYSA-N

Smiles

C1(Nc2nc(N3CC3)nc(n2)N2CC2)(COC(c2ccccc2)OC1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2757ug/kg (2.757mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 12(4), Pg. 67, 1978.
rat LD50 intraperitoneal 11mg/kg (11mg/kg)   Journal of Soviet Oncology. Vol. 1, Pg. 239, 1980.