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Substance Name: Cyclohexanone, 2-butyl-, O-(3-(dimethylamino)-2-methylpropyl)oxime, (E)-2-butenedioate (1:1)
RN: 78674-88-1
InChIKey: YEYJFFSGAXXMLN-HORXMJMVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H32-N2-O.C4-H4-O4

Molecular Weight

  • 384.5134
 
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Names and Synonyms

Synonyms

  • 2-Butylcyclohexanone O-(3-(dimethylamino)-2-methylpropyl)oxime (E)-2-butenedioate (1:1)
  • 2-n-Butyl-1-(2'-methyl-3'-dimethylaminopropoxyimino)cyclohexane hydrogen fumarate

Systematic Name

  • Cyclohexanone, 2-butyl-, O-(3-(dimethylamino)-2-methylpropyl)oxime, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 78674-88-1

System Generated Number

  • 0078674881

Molecular Formulas

Molecular Formula

  • C16-H32-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H32-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H32N2O.C4H4O4/c1-5-6-9-15-10-7-8-11-16(15)17-19-13-14(2)12-18(3)4;5-3(6)1-2-4(7)8/h14-15H,5-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b17-16+;2-1+

InChIKey

YEYJFFSGAXXMLN-HORXMJMVSA-N

Smiles

CCCCC\1CCCC/C1=N\OCC(C)CN(C)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   United States Patent Document. Vol. #4395413,
mouse LD50 oral 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4395413,