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Substance Name: Morpholinium, 4-(2-((4-carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methyl-, iodide, methyl ester
RN: 15894-41-4
InChIKey: YSWWMSUEMVJWLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N2-O5.I

Molecular Weight

  • 450.267
 
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Names and Synonyms

Synonym

  • 4-(2-((4-Carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methylmorpholinium iodide methyl ester

Systematic Name

  • Morpholinium, 4-(2-((4-carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methyl-, iodide, methyl ester

Registry Numbers

CAS Registry Number

  • 15894-41-4

System Generated Number

  • 0015894414

Molecular Formulas

Molecular Formula

  • C16-H23-N2-O5.I

Molecular Formula Fragments

  • C16-H23-N2-O5
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H22N2O5.HI/c1-18(7-9-23-10-8-18)6-5-15(20)17-12-3-4-13(14(19)11-12)16(21)22-2;/h3-4,11H,5-10H2,1-2H3,(H-,17,19,20,21);1H

InChIKey

YSWWMSUEMVJWLQ-UHFFFAOYSA-N

Smiles

[IH-].C1C[N+](CCO1)(C)CCC(Nc1cc(c(cc1)C(=O)OC)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 235, 1967.