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Substance Name: 1,2-Benzenediol, 4-(2-(4-(4-cyclopentylphenyl)-1-piperazinyl)ethyl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 113682-11-4
InChIKey: QPWWZCMEBZSOAS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O2.C4-H4-O4

Molecular Weight

  • 482.5736
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclopentylphenyl)-4-(2-(3,4-dihydroxyphenyl)ethyl)piperazine maleate

Systematic Name

  • 1,2-Benzenediol, 4-(2-(4-(4-cyclopentylphenyl)-1-piperazinyl)ethyl)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 113682-11-4

System Generated Number

  • 0113682114

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C23-H30-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O2.C4H4O4/c26-22-10-5-18(17-23(22)27)11-12-24-13-15-25(16-14-24)21-8-6-20(7-9-21)19-3-1-2-4-19;5-3(6)1-2-4(7)8/h5-10,17,19,26-27H,1-4,11-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QPWWZCMEBZSOAS-WLHGVMLRSA-N

Smiles

c1cc(ccc1C2CCCC2)N3CCN(CC3)CCc4ccc(c(c4)O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1834, 1987.