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Substance Name: Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-
RN: 119558-21-3
InChIKey: GJNWUMRBBILUKC-JJIOKPHSSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N-O2-S.2I

Molecular Weight

  • 565.2871
 
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Names and Synonyms

  • Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-

Registry Numbers

CAS Registry Number

  • 119558-21-3

System Generated Number

  • 0119558213

Molecular Formulas

Molecular Formula

  • C17-H29-N-O2-S.2I

Molecular Formula Fragments

  • C17-H29-N-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H29NO2S.2HI/c1-18(2,3)12-15-13-21(5)10-9-17(15,19)14-7-6-8-16(11-14)20-4;;/h6-8,11,15,19H,9-10,12-13H2,1-5H3;2*1H/q+2;;/p-2/t15-,17-,21?;;/m0../s1

InChIKey

GJNWUMRBBILUKC-JJIOKPHSSA-L

Smiles

C[N+](C)(C)C[C@H]1C[S+](CC[C@@]1(c2cccc(c2)OC)O)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 136mg/kg (136mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.