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Substance Name: Pyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate
RN: 3763-42-6
InChIKey: RKHXXHNTPAKQBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N5-O2.2C-H4-O3-S.H2-O

Molecular Weight

  • 519.597
 
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Names and Synonyms

Synonym

  • 4-(Methylamino)-2-(4-piperonyl-1-piperazinyl)pyrimidine dimethanesulfonate hydrate

Systematic Name

  • Pyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate

Registry Numbers

CAS Registry Number

  • 3763-42-6

System Generated Number

  • 0003763426

Molecular Formulas

Molecular Formula

  • C17-H21-N5-O2.2C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C17-H21-N5-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H21N5O2.2CH4O3S/c1-18-16-4-5-19-17(20-16)22-8-6-21(7-9-22)11-13-2-3-14-15(10-13)24-12-23-14;2*1-5(2,3)4/h2-5,10H,6-9,11-12H2,1H3,(H,18,19,20);2*1H3,(H,2,3,4)

InChIKey

RKHXXHNTPAKQBK-UHFFFAOYSA-N

Smiles

c1(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(NC)ccn1.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Journal of Medicinal Chemistry. Vol. 11, Pg. 1151, 1968.