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Substance Name: 1-Piperazinepropanol, alpha-(2,4-dimethoxyphenyl-4-(beta-(isopentyloxy)phenethyl))-, maleate (1:2)
RN: 28131-68-2
InChIKey: LNDRLJDTDPFTPK-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N2-O4.2C4-H4-O4

Molecular Weight

  • 702.793
 
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Names and Synonyms

Synonym

  • alpha-(2,4-Dimethoxyphenyl-4-(beta-(isopentyloxy)phenethyl))-1-piperazinepropanol maleate

Systematic Name

  • 1-Piperazinepropanol, alpha-(2,4-dimethoxyphenyl-4-(beta-(isopentyloxy)phenethyl))-, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 28131-68-2

System Generated Number

  • 0028131682

Molecular Formulas

Molecular Formula

  • C28-H42-N2-O4.2C4-H4-O4

Molecular Formula Fragments

  • C28-H42-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H42N2O4.2C4H4O4/c1-22(2)13-19-34-28(23-8-6-5-7-9-23)21-30-17-15-29(16-18-30)14-12-26(31)25-11-10-24(32-3)20-27(25)33-4;2*5-3(6)1-2-4(7)8/h5-11,20,22,26,28,31H,12-19,21H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

LNDRLJDTDPFTPK-SPIKMXEPSA-N

Smiles

N1(CCN(CC1)C[C@@H](c1ccccc1)OCCC(C)C)CC[C@@H](c1ccc(OC)cc1OC)O.C(\C=C/C(=O)O)(=O)O.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ANTIPSYCHOTIC
United States Patent Document. Vol. #3705244,