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Substance Name: Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide
RN: 57553-29-4
InChIKey: YAXUOSJEPGMBIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N-O2.I

Molecular Weight

  • 321.152
 
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Names and Synonyms

Synonyms

  • 6,7-Dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide
  • 6,7-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline methiodide

Systematic Name

  • Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 57553-29-4

System Generated Number

  • 0057553294

Molecular Formulas

Molecular Formula

  • C11-H16-N-O2.I

Molecular Formula Fragments

  • C11-H16-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H15NO2.HI/c1-12(2)4-3-8-5-10(13)11(14)6-9(8)7-12;/h5-6H,3-4,7H2,1-2H3,(H-,13,14);1H

InChIKey

YAXUOSJEPGMBIE-UHFFFAOYSA-N

Smiles

[N+]1(Cc2c(cc(O)c(c2)O)CC1)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 subcutaneous 800mg/kg (800mg/kg)   Journal of the Chemical Society. Vol. -, Pg. 191, 1947.