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Substance Name: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3,4-dichlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
RN: 73043-50-2
InChIKey: ZAEOTNRPEYYWEK-INMZZCFLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H28-Cl4-N4-O6.C4-H10-N2

Molecular Weight

  • 768.5222
 
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Names and Synonyms

  • 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3,4-dichlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)

Registry Numbers

CAS Registry Number

  • 73043-50-2

System Generated Number

  • 0073043502

Molecular Formulas

Molecular Formula

  • C30-H28-Cl4-N4-O6.C4-H10-N2

Molecular Formula Fragments

  • C30-H28-Cl4-N4-O6
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H14Cl2N2O3.C4H10N2/c2*1-9-18-13(8-10-4-5-11(16)12(17)7-10)15(22)19(9)6-2-3-14(20)21;1-2-6-4-3-5-1/h2*4-5,7-8H,2-3,6H2,1H3,(H,20,21);5-6H,1-4H2/b2*13-8+;

InChIKey

ZAEOTNRPEYYWEK-INMZZCFLSA-N

Smiles

CC1=N/C(=C/c2cc(c(cc2)Cl)Cl)/C(=O)N1CCCC(=O)O.CC1=N/C(=C/c2cc(c(cc2)Cl)Cl)/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.