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Substance Name: Morpholinium, 4-benzyl-4-(3-(N-benzyl-p-nitrobenzamido)propyl)-, bromide
RN: 470-77-9
InChIKey: UWNNXOOEDUUMQJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-N3-O4.Br

Molecular Weight

  • 553.494
 
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Names and Synonyms

Synonyms

  • 4-Benzyl-4-(3-(N-benzyl-p-nitrobenzamido)propyl)morpholinium bromide
  • 5502 HyL
  • HC 5502
  • Morpholinium, 4-(3-((4-nitrobenzoyl)(phenylmethyl)amino)propyl)-4-(phenylmethyl)-, bromide

Systematic Name

  • Morpholinium, 4-benzyl-4-(3-(N-benzyl-p-nitrobenzamido)propyl)-, bromide

Registry Numbers

CAS Registry Number

  • 470-77-9

System Generated Number

  • 0000470779

Molecular Formulas

Molecular Formula

  • C28-H32-N3-O4.Br

Molecular Formula Fragments

  • Br
  • C28-H32-N3-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H33N2O4.BrH/c32-29(26-13-15-28(16-14-26)30(33)34)27(22-24-8-3-1-4-9-24)12-7-17-31(18-20-35-21-19-31)23-25-10-5-2-6-11-25;/h1-6,8-11,13-16,27H,7,12,17-23H2;1H/q+1;/p-1

InChIKey

UWNNXOOEDUUMQJ-UHFFFAOYSA-M

Smiles

C1OCC[N+](Cc2ccccc2)(C1)CCC[C@@H](Cc1ccccc1)C(=O)c1ccc([N+]([O-])=O)cc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   Therapie. Vol. 20, Pg. 173, 1965.