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Substance Name: Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)
RN: 56621-69-3
InChIKey: SHPGJEQMSAGNKH-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-O4-S.C4-H4-O4

Molecular Weight

  • 399.418
 
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Names and Synonyms

Synonym

  • 1-(4-(Methylsulfonyl)phenyl)-2-(4-morpholinyl)ethanone maleate

Systematic Name

  • Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(4-morpholinyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 56621-69-3

System Generated Number

  • 0056621693

Molecular Formulas

Molecular Formula

  • C13-H17-N-O4-S.C4-H4-O4

Molecular Formula Fragments

  • C13-H17-N-O4-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17NO4S.C4H4O4/c1-19(16,17)12-4-2-11(3-5-12)13(15)10-14-6-8-18-9-7-14;5-3(6)1-2-4(7)8/h2-5H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

SHPGJEQMSAGNKH-BTJKTKAUSA-N

Smiles

c1(C(C[NH+]2CCOCC2)=O)ccc(cc1)S(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.