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Substance Name: 1-Propanone, 3-(diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-, (E)-2-butenedioate (1:1)
RN: 69566-91-2
InChIKey: GCUZXKIXIDMPAD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O-S.C4-H4-O4

Molecular Weight

  • 395.5171
 
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Names and Synonyms

Synonym

  • 3-(Diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-1-propanone (E)-2-butenedioate (1:1)

Systematic Name

  • 1-Propanone, 3-(diethylamino)-1-(4-(ethylthio)phenyl)-2-methyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 69566-91-2

System Generated Number

  • 0069566912

Molecular Formulas

Molecular Formula

  • C16-H25-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H25-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NOS.C4H4O4/c1-5-17(6-2)12-13(4)16(18)14-8-10-15(11-9-14)19-7-3;5-3(6)1-2-4(7)8/h8-11,13H,5-7,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GCUZXKIXIDMPAD-WLHGVMLRSA-N

Smiles

CCN(CC)CC(C)C(=O)c1ccc(cc1)SCC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4237141,