Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Chlorproheptatrien
RN: 5490-31-3
InChIKey: IMNYNMDGLNYDIY-SRJUEMFDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-N.Cl-H

Molecular Weight

  • 346.299
 
* 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

Results Name

  • Chlorproheptatrien

Synonym

  • Chlorproheptatrien

Systematic Name

  • 5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine, 3-chloro-N,N-dimethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 5490-31-3

System Generated Number

  • 0005490313

Molecular Formulas

Molecular Formula

  • C20-H20-Cl-N.Cl-H

Molecular Formula Fragments

  • C20-H20-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20ClN.ClH/c1-22(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(21)14-20(16)19;/h3-4,6-12,14H,5,13H2,1-2H3;1H/b19-8-;

InChIKey

IMNYNMDGLNYDIY-SRJUEMFDSA-N

Smiles

C1(\c2c(C=Cc3c1cccc3)ccc(c2)Cl)=C/CC[NH+](C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28500ug/kg (28.5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 481, 1963.
mouse LD50 oral 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 481, 1963.