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Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((4-(phenylmethyloxy)phenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride
RN: 102131-97-5
InChIKey: FKKUDAQGUVRHSA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H35-N3-O2.2Cl-H

Molecular Weight

  • 494.5033
 
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Names and Synonyms

  • 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((4-(phenylmethyloxy)phenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 102131-97-5

System Generated Number

  • 0102131975

Molecular Formulas

Molecular Formula

  • C26-H35-N3-O2.2Cl-H

Molecular Formula Fragments

  • C26-H35-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H35N3O2.2ClH/c1-25(2)17-23(26(3,4)29-25)24(30)28-16-8-15-27-18-20-11-13-22(14-12-20)31-19-21-9-6-5-7-10-21;;/h5-7,9-14,17,27,29H,8,15-16,18-19H2,1-4H3,(H,28,30);2*1H

InChIKey

FKKUDAQGUVRHSA-UHFFFAOYSA-N

Smiles

CC1(C=C(C(N1)(C)C)C(=O)NCCCNCc2ccc(cc2)OCc3ccccc3)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.