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Substance Name: Ammonium, diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)-, bromide
RN: 51444-63-4
InChIKey: XUJGAQHMNZROJS-UHFFFAOYSA-N

Molecular Formula

  • C30-H37-N2-O4.Br

Molecular Weight

  • 569.5363
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(4-(2-(3-phenylpropoxy)benzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51444-63-4

System Generated Number

  • 0051444634

Molecular Formulas

Molecular Formula

  • C30-H37-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C30-H37-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H36N2O4.BrH/c1-4-32(3,5-2)21-23-36-30(34)25-17-19-26(20-18-25)31-29(33)27-15-9-10-16-28(27)35-22-11-14-24-12-7-6-8-13-24;/h6-10,12-13,15-20H,4-5,11,14,21-23H2,1-3H3;1H

InChIKey

XUJGAQHMNZROJS-UHFFFAOYSA-N

Smiles

CC[N+](C)(CC)CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCCCc3ccccc3.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 166mg/kg (166mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.