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Substance Name: LU 49888
RN: 109293-21-2
InChIKey: ZUNFHPIYIPQTIE-RTMIPMGSSA-N

Note

  • Photoaffinity label; N-methyl-tritiated; LU 47781 is the unlabeled racemic LU 49888.

Molecular Formula

  • C26-H32-N5-O3-T3.Cl-H

Molecular Weight

  • 508.032
 
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Names and Synonyms

Name of Substance

  • LU 49888

Synonyms

  • (N-Methyl-(3)H)LU49888
  • 5-((3-Azidophenethyl)methylamino)-2-(3,4,5-trimethoxyphenyl)-2-isopropylvaleronitrile
  • Azidopamil
  • LU 47781
  • LU-49888
  • Ludopamil

Systematic Name

  • Benzeneacetonitrile, alpha-(3-((2-(3-azidophenyl)ethyl)methyl-t3-amino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-, monohydrochloride, (-)-

Registry Numbers

CAS Registry Number

  • 109293-21-2

System Generated Number

  • 0109293212

Molecular Formulas

Molecular Formula

  • C26-H32-N5-O3-T3.Cl-H

Molecular Formula Fragments

  • C26-H32-N5-O3-T3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H35N5O3.ClH/c1-19(2)26(18-27,21-16-23(32-4)25(34-6)24(17-21)33-5)12-8-13-31(3)14-11-20-9-7-10-22(15-20)29-30-28;/h7,9-10,15-17,19H,8,11-14H2,1-6H3;1H/i3T3;

InChIKey

ZUNFHPIYIPQTIE-RTMIPMGSSA-N

Smiles

c1(cc(c(c(c1)OC)OC)OC)[C@@](C#N)(C(C)C)CCC[N@@](C([3H])([3H])[3H])CCc1cc(ccc1)N=[N+]=[N-].Cl