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Substance Name: 1,3,5-Triazine-2,4-diamine, 6-(4-(2H-1-benzopyran-3-ylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-, monomethanesulfonate
RN: 87813-70-5
InChIKey: LPYQKMPRLCYTTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N7-O.C-H4-O3-S

Molecular Weight

  • 515.6357
 
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Names and Synonyms

Synonym

  • 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(3-chromene-3-ylmethyl)piperazine methanesulfonate

Systematic Name

  • 1,3,5-Triazine-2,4-diamine, 6-(4-(2H-1-benzopyran-3-ylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 87813-70-5

System Generated Number

  • 0087813705

Molecular Formulas

Molecular Formula

  • C23-H29-N7-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H29-N7-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N7O.CH4O3S/c1-3-9-24-21-26-22(25-10-4-2)28-23(27-21)30-13-11-29(12-14-30)16-18-15-19-7-5-6-8-20(19)31-17-18;1-5(2,3)4/h3-8,15H,1-2,9-14,16-17H2,(H2,24,25,26,27,28);1H3,(H,2,3,4)

InChIKey

LPYQKMPRLCYTTG-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.C=CCNc1nc(nc(n1)N2CCN(CC2)CC3=Cc4ccccc4OC3)NCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4529729,