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Substance Name: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((methoxyphenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
RN: 73043-52-4
InChIKey: JWFKYLJIHFOCDN-XGNDVENUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H36-N4-O8.C4-H10-N2

Molecular Weight

  • 690.7934
 
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Names and Synonyms

  • 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((methoxyphenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 73043-52-4

System Generated Number

  • 0073043524

Molecular Formulas

Molecular Formula

  • C32-H36-N4-O8.C4-H10-N2

Molecular Formula Fragments

  • C32-H36-N4-O8
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H18N2O4.C4H10N2/c2*1-11-17-14(10-12-5-7-13(22-2)8-6-12)16(21)18(11)9-3-4-15(19)20;1-2-6-4-3-5-1/h2*5-8,10H,3-4,9H2,1-2H3,(H,19,20);5-6H,1-4H2/b2*14-10+;

InChIKey

JWFKYLJIHFOCDN-XGNDVENUSA-N

Smiles

CC1=N/C(=C/c2ccc(cc2)OC)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/c2ccc(cc2)OC)/C(=O)N1CCCC(=O)O.C1NCCNC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of the Indian Chemical Society. Vol. 56, Pg. 627, 1979.