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Substance Name: Morpholinium, 4-(((4-carboxy-3-hydroxyphenyl)carbamoyl)methyl)-4-methyl-, iodide, ethyl ester
RN: 14034-45-8
InChIKey: RNELMOQEESAXSZ-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-(((4-Carboxy-3-hydroxyphenyl)carbamoyl)methyl)-4-methylmorpholinium iodide ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14034-45-8

System Generated Number

  • 0014034458

Molecular Formulas

Molecular Formula

  • C16-H23-N2-O5.I

Molecular Formula Fragments

  • C16-H23-N2-O5
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H22N2O5.HI/c1-3-23-16(21)13-5-4-12(10-14(13)19)17-15(20)11-18(2)6-8-22-9-7-18;/h4-5,10H,3,6-9,11H2,1-2H3,(H-,17,19,20,21);1H

InChIKey

RNELMOQEESAXSZ-UHFFFAOYSA-N

Smiles

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