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Substance Name: 1-Piperazinepropanol, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 37652-77-0
InChIKey: SKQVITJBDUZFAC-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O.C4-H4-O4

Molecular Weight

  • 440.5368
 
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Names and Synonyms

Synonyms

  • 1-(2-Benzylbenzyl)-4-(3-hydroxypropyl)piperazine maleate
  • 4-((2-(Phenylmethyl)phenyl)methyl)-1-piperazinepropanol maleate

Systematic Name

  • 1-Piperazinepropanol, 4-((2-(phenylmethyl)phenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 37652-77-0

System Generated Number

  • 0037652770

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H28-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2O.C4H4O4/c24-16-6-11-22-12-14-23(15-13-22)18-21-10-5-4-9-20(21)17-19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-5,7-10,24H,6,11-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

SKQVITJBDUZFAC-BTJKTKAUSA-N

Smiles

c1ccc(cc1)Cc2ccccc2CN3CCN(CC3)CCCO.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 1371, 1972.