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Substance Name: Pyrrolidine, 1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate (1:2:1)
RN: 58722-43-3
InChIKey: LPWQJKFXRZVZEZ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N3-O3-S.2C4-H4-O4.H2-O

Molecular Weight

  • 583.6117
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58722-43-3

System Generated Number

  • 0058722433

Molecular Formulas

Molecular Formula

  • C17-H25-N3-O3-S.2C4-H4-O4.H2-O

Molecular Formula Fragments

  • C17-H25-N3-O3-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H25N3O3S.2C4H4O4/c1-18-10-12-19(13-11-18)14-17(21)15-4-6-16(7-5-15)24(22,23)20-8-2-3-9-20;2*5-3(6)1-2-4(7)8/h4-7H,2-3,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

LPWQJKFXRZVZEZ-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3.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 LDLo oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3895, 1975.