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Substance Name: Cyclohexanone, 2-butyl-, O-(2-(dimethylamino)ethyl)oxime, (E)-2-butenedioate (1:1)
RN: 78674-82-5
InChIKey: AAMLAZQPUSKKBH-QMKCLFRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H28-N2-O.C4-H4-O4

Molecular Weight

  • 356.4598
 
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Names and Synonyms

Synonyms

  • 2-Butylcyclohexanone O-(2-(dimethylamino)ethyl)oxime (E)-2-butenedioate (1:1)
  • 2-n-Butyl-1-(2'-dimethylaminoethoxyimino)cyclohexane hydrogen fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78674-82-5

System Generated Number

  • 0078674825

Molecular Formulas

Molecular Formula

  • C14-H28-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C14-H28-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H28N2O.C4H4O4/c1-4-5-8-13-9-6-7-10-14(13)15-17-12-11-16(2)3;5-3(6)1-2-4(7)8/h13H,4-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b15-14+;2-1+

InChIKey

AAMLAZQPUSKKBH-QMKCLFRXSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   United States Patent Document. Vol. #4395413,
mouse LD50 oral 580mg/kg (580mg/kg)   United States Patent Document. Vol. #4395413,