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Substance Name: Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide
RN: 14653-24-8
InChIKey: SIZMTGJUHFISBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-N2-O2-S.Br-H

Molecular Weight

  • 552.574
 
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Names and Synonyms

Synonym

  • 1-(3-Phenothiazin-10-ylpropyl)-4-phenylisonipecotic acid ethyl ester hydrobromide

Systematic Name

  • Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 14653-24-8

System Generated Number

  • 0014653248

Molecular Formulas

Molecular Formula

  • C29-H32-N2-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C29-H32-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H33NO2S.BrH/c1-2-33-29(32)30(24-12-4-3-5-13-24)20-18-23(19-21-30)11-10-22-31-25-14-6-8-16-27(25)34-28-17-9-7-15-26(28)31;/h3-9,12-17,23H,2,10-11,18-22H2,1H3;1H

InChIKey

SIZMTGJUHFISBY-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CCC(CCCN2c3c(Sc4c2cccc4)cccc3)CC1)C(OCC)=O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.
mouse LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 627, 1967.