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Substance Name: 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-hydroxyphenyl)-beta-methyl-, (R*,R*)-(+-)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt)
RN: 87429-93-4
InChIKey: XIMIOFINEJDNQC-HQIRLALISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O2.1/2C4-H6-O6

Molecular Weight

  • 955.1554
 
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Names and Synonyms

Synonym

  • dl-erythro-2-(4-Diphenylmethylpiperazinyl)-1-(4-hydroxyphenyl)propanol semitartrate

Systematic Name

  • 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-hydroxyphenyl)-beta-methyl-, (R*,R*)-(+-)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 87429-93-4

System Generated Number

  • 0087429934

Molecular Formulas

Molecular Formula

  • C26-H30-N2-O2.1/2C4-H6-O6

Molecular Formula Fragments

  • C26-H30-N2-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C26H30N2O2.C4H6O6/c2*1-20(26(30)23-12-14-24(29)15-13-23)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22;5-1(3(7)8)2(6)4(9)10/h2*2-15,20,25-26,29-30H,16-19H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*20-,26+;1-,2-/m111/s1

InChIKey

XIMIOFINEJDNQC-HQIRLALISA-N

Smiles

C[C@H]([C@@H](c1ccc(cc1)O)O)N2CCN(CC2)C(c3ccccc3)c4ccccc4.C[C@H]([C@@H](c1ccc(cc1)O)O)N2CCN(CC2)C(c3ccccc3)c4ccccc4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4528194,