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Substance Name: 1-Propanone, 1,1'-(1,4-piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis-
RN: 36115-90-9
InChIKey: QYFFNWKKZOLFQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N2-O6

Molecular Weight

  • 498.616
 
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Names and Synonyms

Synonyms

  • 1,1'-(1,4-Piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis(1-propanone)
  • 5-23-02-00151 (Beilstein Handbook Reference)
  • BRN 0593523

Systematic Name

  • 1-Propanone, 1,1'-(1,4-piperazinediylbis((2-hydroxy-3,1-propanediyl)oxy)-4,1-phenylene)bis-

Registry Numbers

CAS Registry Number

  • 36115-90-9

System Generated Number

  • 0036115909

Structure Descriptors

InChI

1S/C28H38N2O6/c1-3-27(33)21-5-9-25(10-6-21)35-19-23(31)17-29-13-15-30(16-14-29)18-24(32)20-36-26-11-7-22(8-12-26)28(34)4-2/h5-12,23-24,31-32H,3-4,13-20H2,1-2H3

InChIKey

QYFFNWKKZOLFQH-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)C[C@@H](COc1ccc(cc1)C(CC)=O)O)C[C@@H](COc1ccc(cc1)C(CC)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.