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Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((3-phenoxyphenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride
RN: 102131-93-1
InChIKey: QDMKGOPIIKKXBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N3-O2.2Cl-H

Molecular Weight

  • 480.4765
 
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Names and Synonyms

  • 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((3-phenoxyphenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 102131-93-1

System Generated Number

  • 0102131931

Molecular Formulas

Molecular Formula

  • C25-H33-N3-O2.2Cl-H

Molecular Formula Fragments

  • C25-H33-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33N3O2.2ClH/c1-24(2)17-22(25(3,4)28-24)23(29)27-15-9-14-26-18-19-10-8-13-21(16-19)30-20-11-6-5-7-12-20;;/h5-8,10-13,16-17,26,28H,9,14-15,18H2,1-4H3,(H,27,29);2*1H

InChIKey

QDMKGOPIIKKXBQ-UHFFFAOYSA-N

Smiles

CC1(C=C(C(N1)(C)C)C(=O)NCCCNCc2cccc(c2)Oc3ccccc3)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.