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Substance Name: Piperidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2)
RN: 58722-45-5
InChIKey: ORNAKVLLQJYICU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N3-O3-S.2C4-H4-O4

Molecular Weight

  • 597.6385
 
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Names and Synonyms

Synonym

  • 1-((4-((4-Methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)piperidine maleate (1:2)

Systematic Name

  • Piperidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 58722-45-5

System Generated Number

  • 0058722455

Molecular Formulas

Molecular Formula

  • C18-H27-N3-O3-S.2C4-H4-O4

Molecular Formula Fragments

  • C18-H27-N3-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27N3O3S.2C4H4O4/c1-19-11-13-20(14-12-19)15-18(22)16-5-7-17(8-6-16)25(23,24)21-9-3-2-4-10-21;2*5-3(6)1-2-4(7)8/h5-8H,2-4,9-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ORNAKVLLQJYICU-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 175mg/kg (175mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3895, 1975.