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Substance Name: 2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, iodomethylate
RN: 29632-48-2
InChIKey: AKLYZSZBJHPVTE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2.C-H3-I

Molecular Weight

  • 405.313
 
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Names and Synonyms

Synonyms

  • ((o-Cyclopropylphenoxy)-3 hydroxy-2 propyl)diethyl methyl ammonium iodure
  • ((o-Cyclopropylphenoxy)-3 hydroxy-2 propyl)diethyl methyl ammonium iodure [French]
  • 1-(o-Cyclopropylphenoxy)-3-(diethylamino)-2-propanol iodomethylate

Systematic Name

  • 2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, iodomethylate

Registry Numbers

CAS Registry Number

  • 29632-48-2

System Generated Number

  • 0029632482

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2.C-H3-I

Molecular Formula Fragments

  • C-H3-I
  • C16-H25-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28NO2.HI/c1-4-18(3,5-2)12-15(19)13-20-17-9-7-6-8-16(17)14-10-11-14;/h6-9,14-15,19H,4-5,10-13H2,1-3H3;1H/q+1;/p-1

InChIKey

AKLYZSZBJHPVTE-UHFFFAOYSA-M

Smiles

C([C@@H](COc1c(cccc1)C1CC1)O)[N+](C)(CC)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 971, 1970.