Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotamide, 1-(3-(2-acetylphenothiazin-10-yl)propyl)-4-piperidino-, hydrochloride, hydrate, ethanol (2:4:1:2)
RN: 13805-49-7
InChIKey: WMYYKNJLKGVZDL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-N4-O2-S.2Cl-H.1/2H2-O.C2-H6-O

Molecular Weight

  • 565.606
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Isonipecotamide, 1-(3-(2-acetylphenothiazin-10-yl)propyl)-4-piperidino-, hydrochloride, hydrate, ethanol (2:4:1:2)

Registry Numbers

CAS Registry Number

  • 13805-49-7

System Generated Number

  • 0013805497

Molecular Formulas

Molecular Formula

  • C28-H36-N4-O2-S.2Cl-H.1/2H2-O.C2-H6-O

Molecular Formula Fragments

  • C2-H6-O
  • C28-H36-N4-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H36N4O2S.2ClH/c1-21(33)22-10-11-26-24(20-22)32(23-8-3-4-9-25(23)35-26)17-7-14-30-18-12-28(13-19-30,27(29)34)31-15-5-2-6-16-31;;/h3-4,8-11,20H,2,5-7,12-19H2,1H3,(H2,29,34);2*1H

InChIKey

WMYYKNJLKGVZDL-UHFFFAOYSA-N

Smiles

N1(CCCCC1)C1(CCN(CC1)CCCN1c2ccccc2Sc2ccc(cc12)C(=O)C)C(=O)N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 60mg/kg (60mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTIANXIETY

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.