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Substance Name: Cyclohexanone, 2-pentylidene-, O-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (E)-2-butenedioate (1:2)
RN: 78675-05-5
InChIKey: ZWLZDKYCDNHVGR-SGZOYLFDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H39-N3-O.2C4-H4-O4

Molecular Weight

  • 629.7463
 
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Names and Synonyms

Synonym

  • 2-Pentylidene-1-(3'-(4''-benzylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate

Systematic Name

  • Cyclohexanone, 2-pentylidene-, O-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 78675-05-5

System Generated Number

  • 0078675055

Molecular Formulas

Molecular Formula

  • C25-H39-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C25-H39-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H39N3O.2C4H4O4/c1-2-3-5-13-24-14-8-9-15-25(24)26-29-21-10-16-27-17-19-28(20-18-27)22-23-11-6-4-7-12-23;2*5-3(6)1-2-4(7)8/h4,6-7,11-13H,2-3,5,8-10,14-22H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b24-13+,26-25+;2*2-1+

InChIKey

ZWLZDKYCDNHVGR-SGZOYLFDSA-N

Smiles

CCCC/C=C\1/C(=N/OCCCN2CCN(CC2)Cc3ccccc3)/CCCC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   United States Patent Document. Vol. #4395413,
mouse LD50 oral 1800mg/kg (1800mg/kg)   United States Patent Document. Vol. #4395413,