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Substance Name: 1-Piperazineethanol, 4-methyl-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:2)
RN: 56621-80-8
InChIKey: CIFWCMKVPPGXHU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O3-S.2C4-H4-O4

Molecular Weight

  • 530.548
 
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Names and Synonyms

Synonym

  • 4-Methyl-alpha-(4-(methylsulfonyl)phenyl)-1-piperazineethanol dimaleate

Systematic Name

  • 1-Piperazineethanol, 4-methyl-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 56621-80-8

System Generated Number

  • 0056621808

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O3-S.2C4-H4-O4

Molecular Formula Fragments

  • C14-H22-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22N2O3S.2C4H4O4/c1-15-7-9-16(10-8-15)11-14(17)12-3-5-13(6-4-12)20(2,18)19;2*5-3(6)1-2-4(7)8/h3-6,14,17H,7-11H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

CIFWCMKVPPGXHU-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CC(O)c2ccc(cc2)S(=O)(=O)C.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 oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1204, 1975.