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Substance Name: 2,4,6-Cycloheptatriene-1-acetic acid, 2-(4-methylpiperazinyl)ethyl ester, hydrochloride
RN: 72050-76-1
InChIKey: YZMHHMGXIFFHKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O2.Cl-H

Molecular Weight

  • 312.839
 
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Names and Synonyms

Synonym

  • MP 39

Systematic Name

  • 2,4,6-Cycloheptatriene-1-acetic acid, 2-(4-methylpiperazinyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 72050-76-1

System Generated Number

  • 0072050761

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O2.ClH/c1-17-8-10-18(11-9-17)12-13-20-16(19)14-15-6-4-2-3-5-7-15;/h2-7,15H,8-14H2,1H3;1H

InChIKey

YZMHHMGXIFFHKV-UHFFFAOYSA-N

Smiles

C1(CC(OCCN2CC[NH+](C)CC2)=O)C=CC=CC=C1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 572mg/kg (572mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 407, 1972.