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Substance Name: Substance S
RN: 57547-01-0
InChIKey: KAMRBBPZBQYBGC-UHFFFAOYSA-N

Molecular Formula

  • C24-H38-Cl-N3-O.3Cl-H

Molecular Weight

  • 529.42
 
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Names and Synonyms

Name of Substance

  • Substance S

Synonym

  • 1-(4-(3-Chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-1-pentanone 3HCl

Systematic Names

  • 1-(4-(3-Chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-1-pentanone, trihydrochloride
  • 1-Pentanone, 1-(4-(3-chlorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-4-piperidinyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 57547-01-0

System Generated Number

  • 0057547010

Molecular Formulas

Molecular Formula

  • C24-H38-Cl-N3-O.3Cl-H

Molecular Formula Fragments

  • C24-H38-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H38ClN3O.3ClH/c1-3-4-9-23(29)24(21-7-5-8-22(25)20-21)10-14-27(15-11-24)12-6-13-28-18-16-26(2)17-19-28;;;/h5,7-8,20H,3-4,6,9-19H2,1-2H3;3*1H

InChIKey

KAMRBBPZBQYBGC-UHFFFAOYSA-N

Smiles

C(=O)(C1(CCN(CC1)CCCN1CCN(CC1)C)c1cc(ccc1)Cl)CCCC.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 104mg/kg (104mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 33, Pg. 169, 1976.