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Substance Name: Ammonium, (2-(7-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethyl)triethyl-, iodide, dimethylcarbamate (ester)
RN: 97050-99-2
InChIKey: MXBBKCOUJMIAKM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N3-O4.I

Molecular Weight

  • 491.363
 
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Names and Synonyms

  • Ammonium, (2-(7-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethyl)triethyl-, iodide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 97050-99-2

System Generated Number

  • 0097050992

Molecular Formulas

Molecular Formula

  • C19-H30-N3-O4.I

Molecular Formula Fragments

  • C19-H30-N3-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H30N3O4.HI/c1-6-22(7-2,8-3)12-11-21-16-10-9-15(26-19(24)20(4)5)13-17(16)25-14-18(21)23;/h9-10,13H,6-8,11-12,14H2,1-5H3;1H/q+1;/p-1

InChIKey

MXBBKCOUJMIAKM-UHFFFAOYSA-M

Smiles

CC[N+](CC)(CC)CCN1c2ccc(cc2OCC1=O)OC(=O)N(C)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 37, 1985.