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Substance Name: 1,4-Cyclohexanediaminium, 2,3-bis(acetyloxy)-N,N,N,N',N',N'-hexamethyl-, diiodide, (1-alpha,2-beta,3-alpha,6-alpha)-
RN: 137866-78-5
InChIKey: CSTGETGXIYKDEQ-QCDIAWODSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H32-N2-O4.2I

Molecular Weight

  • 568.223
 
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Names and Synonyms

Synonym

  • trans-2,3-Diacetoxy-1,4-cyclohexylenebis(trimethylammonium iodide)

Systematic Name

  • 1,4-Cyclohexanediaminium, 2,3-bis(acetyloxy)-N,N,N,N',N',N'-hexamethyl-, diiodide, (1-alpha,2-beta,3-alpha,6-alpha)-

Registry Numbers

CAS Registry Number

  • 137866-78-5

System Generated Number

  • 0137866785

Molecular Formulas

Molecular Formula

  • C16-H32-N2-O4.2I

Molecular Formula Fragments

  • C16-H32-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H30N2O4.2HI/c1-11(19)21-15-13(17(3,4)5)9-10-14(18(6,7)8)16(15)22-12(2)20;;/h9-10,13-16H,1-8H3;2*1H/q+2;;/p-2/t13-,14+,15-,16-;;/m1../s1

InChIKey

CSTGETGXIYKDEQ-QCDIAWODSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 526mg/kg (526mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 632, 1991.