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Substance Name: 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((4-hydroxyphenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
RN: 73043-51-3
InChIKey: LUFBZWFVWIZZGW-YJCYQSLBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-N4-O8.C4-H10-N2

Molecular Weight

  • 662.7398
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 73043-51-3

System Generated Number

  • 0073043513

Molecular Formulas

Molecular Formula

  • C30-H32-N4-O8.C4-H10-N2

Molecular Formula Fragments

  • C30-H32-N4-O8
  • C4-H10-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H16N2O4.C4H10N2/c2*1-10-16-13(9-11-4-6-12(18)7-5-11)15(21)17(10)8-2-3-14(19)20;1-2-6-4-3-5-1/h2*4-7,9,18H,2-3,8H2,1H3,(H,19,20);5-6H,1-4H2/b2*13-9+;

InChIKey

LUFBZWFVWIZZGW-YJCYQSLBSA-N

Smiles

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