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Substance Name: Ketone, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-phenyl-4-piperidyl methyl-, hydrochloride,hydrate (1:1:2)
RN: 10320-32-8
InChIKey: JTAJJZXIDUEHLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-Cl-N2-O-S.Cl-H.2H2-O

Molecular Weight

  • 513.53
 
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Names and Synonyms

Synonym

  • 1-(3-(2-Chlorophenothiazin-10-yl)propyl)-4-phenyl-4-piperidyl methyl ketone hydrochloride 2H2O

Systematic Name

  • Ketone, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-phenyl-4-piperidyl methyl-, hydrochloride,hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 10320-32-8

System Generated Number

  • 0010320328

Molecular Formulas

Molecular Formula

  • C28-H29-Cl-N2-O-S.Cl-H.2H2-O

Molecular Formula Fragments

  • C28-H29-Cl-N2-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H29ClN2OS.ClH/c1-21(32)28(22-8-3-2-4-9-22)14-18-30(19-15-28)16-7-17-31-24-10-5-6-11-26(24)33-27-13-12-23(29)20-25(27)31;/h2-6,8-13,20H,7,14-19H2,1H3;1H

InChIKey

JTAJJZXIDUEHLW-UHFFFAOYSA-N

Smiles

C(C)(C1(CCN(CC1)CCCN1c2ccccc2Sc2ccc(cc12)Cl)c1ccccc1)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.