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Substance Name: Isonipecotic acid, 1-(3-(2-chloro-10-phenothiazinyl)propyl)-, hydrochloride
RN: 73826-55-8
InChIKey: PWWRCUHLUQYUTP-UHFFFAOYSA-N

Molecular Formula

  • C23-H27-Cl-N2-O2-S.Cl-H

Molecular Weight

  • 467.458
 
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Names and Synonyms

Synonyms

  • 10-(3-(1-(4-Carbethoxypiperidyl))propyl)-2-chlorophenothiazine hydrochloride
  • 4-Piperidinecarboxylic acid, 1-(3-(2-chloro-10-phenothiazinyl)propyl)-, hydrochloride

Systematic Name

  • Isonipecotic acid, 1-(3-(2-chloro-10-phenothiazinyl)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 73826-55-8

System Generated Number

  • 0073826558

Molecular Formulas

Molecular Formula

  • C23-H27-Cl-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C23-H27-Cl-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27ClN2O2S.ClH/c1-2-28-23(27)17-10-14-25(15-11-17)12-5-13-26-19-6-3-4-7-21(19)29-22-9-8-18(24)16-20(22)26;/h3-4,6-9,16-17H,2,5,10-15H2,1H3;1H

InChIKey

PWWRCUHLUQYUTP-UHFFFAOYSA-N

Smiles

N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN1CCC(C(OCC)=O)CC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01213,