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Substance Name: Butyrophenone, 2-(dimethylamino)methyl-, maleate
RN: 53207-31-1
InChIKey: IIVDTCJILHUZAA-BTJKTKAUSA-N

Molecular Formula

  • C13-H19-N-O.C4-H4-O4

Molecular Weight

  • 321.371
 
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Names and Synonyms

Synonyms

  • 2-(Dimethylamino)methylbutyrophenone maleate
  • NSC 193533
  • Propiophenone, 3-dimethylamino-2-ethyl-, maleate

Systematic Names

  • 1-Butanone, 2-((dimethylamino)methyl)-1-phenyl-, (Z)-2-butenedioate (1:1) (9CI)
  • Butyrophenone, 2-(dimethylamino)methyl-, maleate

Registry Numbers

CAS Registry Number

  • 53207-31-1

System Generated Number

  • 0053207311

Molecular Formulas

Molecular Formula

  • C13-H19-N-O.C4-H4-O4

Molecular Formula Fragments

  • C13-H19-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19NO.C4H4O4/c1-4-11(10-14(2)3)13(15)12-8-6-5-7-9-12;5-3(6)1-2-4(7)8/h5-9,11H,4,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

IIVDTCJILHUZAA-BTJKTKAUSA-N

Smiles

c1(C([C@@H](C[NH+](C)C)CC)=O)ccccc1.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76mg/kg (76mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 819, 1974.