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Substance Name: Morpholinium, 4-methyl-4-(2-(4-(2-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
RN: 51476-02-9
InChIKey: HXGCJZGOMZVWTH-UHFFFAOYSA-N

Molecular Formula

  • C27-H41-N2-O5.Br

Molecular Weight

  • 577.5559
 
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Names and Synonyms

Synonym

  • 4-Methyl-4-(2-(4-(2-octyloxybenzamido)benzoyloxy)ethyl)morpolinium bromide

Systematic Name

  • Morpholinium, 4-methyl-4-(2-(4-(2-octyloxybenzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51476-02-9

System Generated Number

  • 0051476029

Molecular Formulas

Molecular Formula

  • C27-H41-N2-O5.Br

Molecular Formula Fragments

  • Br
  • C27-H41-N2-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O5.BrH/c1-3-4-5-6-7-10-20-35-27-12-9-8-11-26(27)28(32)30-25-15-13-24(14-16-25)29(33)36-23-19-31(2)17-21-34-22-18-31;/h8-9,11-16H,3-7,10,17-23H2,1-2H3;1H

InChIKey

HXGCJZGOMZVWTH-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+]3(CCOCC3)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 58mg/kg (58mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.