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Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(((3-methoxy-2-(phenylmethyloxy)phenyl)methyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride
RN: 102132-07-0
InChIKey: QEVUVGKEFPSYQT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N3-O3.2Cl-H

Molecular Weight

  • 524.5291
 
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Names and Synonyms

Synonym

  • RTECS VI5852000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102132-07-0

System Generated Number

  • 0102132070

Molecular Formulas

Molecular Formula

  • C27-H37-N3-O3.2Cl-H

Molecular Formula Fragments

  • C27-H37-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H37N3O3.2ClH/c1-26(2)17-22(27(3,4)30-26)25(31)29-16-10-15-28-18-21-13-9-14-23(32-5)24(21)33-19-20-11-7-6-8-12-20;;/h6-9,11-14,17,28,30H,10,15-16,18-19H2,1-5H3,(H,29,31);2*1H

InChIKey

QEVUVGKEFPSYQT-UHFFFAOYSA-N

Smiles

CC1(C=C(C(N1)(C)C)C(=O)NCCCNCc2cccc(c2OCc3ccccc3)OC)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6200ug/kg (6.2mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.