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Substance Name: 2,4,6-Cycloheptatriene-1-acetic acid, 3-(4-methylpiperazin-1-yl)propyl ester, hydrochloride
RN: 72050-77-2
InChIKey: MGRUNNGBZNIOKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O2.Cl-H

Molecular Weight

  • 326.865
 
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Names and Synonyms

Synonym

  • MP 47

Systematic Name

  • 2,4,6-Cycloheptatriene-1-acetic acid, 3-(4-methylpiperazin-1-yl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 72050-77-2

System Generated Number

  • 0072050772

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H26-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N2O2.ClH/c1-18-10-12-19(13-11-18)9-6-14-21-17(20)15-16-7-4-2-3-5-8-16;/h2-5,7-8,16H,6,9-15H2,1H3;1H

InChIKey

MGRUNNGBZNIOKF-UHFFFAOYSA-N

Smiles

C1(CC(OCCCN2CC[NH+](C)CC2)=O)C=CC=CC=C1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 640mg/kg (640mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 407, 1972.