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Substance Name: Hexasonium iodide [INN]
RN: 3569-59-3
UNII: 1X8AK2Z46B
InChIKey: LZXCSAFKUYXBTJ-UHFFFAOYSA-M

Molecular Formulas

  • C18-H27-I-O2-S
  • C18-H27-O2-S.I

Molecular Weight

  • 434.375
 
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Names and Synonyms

Name of Substance

  • Hexasonium iodide [INN]
  • Thiospasmin

Synonyms

  • (2-Hydroxyethyl)dimethylsulfonium iodide, alpha-phenylcyclohexaneacetate
  • 2-(Fenyl-cyrlohexylacetoxy)ethyl-dimethylsulfoniumjodid
  • 2-(Fenyl-cyrlohexylacetoxy)ethyl-dimethylsulfoniumjodid [Czech]
  • 2-(Phenylcyclohexylacetoxy)-ethyl dimethylsulfonium iodide
  • Cyclohexaneacetic acid, alpha-phenyl-, ester with (2-hydroxyethyl)dimethylsulfonium iodide
  • Hexadiphensulfone iodide
  • Hexadiphensulfonium iodatum
  • Hexasonii iodidum
  • Hexasonii iodidum [INN-Latin]
  • Hexasonium iodide
  • Iodure d'hexasonium
  • Iodure d'hexasonium [INN-French]
  • Ioduro de hexasonio
  • Ioduro de hexasonio [INN-Spanish]
  • S-(2-(2-Cyclohexyl-2-phenylacetoxy)ethyl)-S,S-dimethyl-sulfonium iodid
  • Thiospasmin
  • Thiospasmin [Czech]
  • Thiospasmine
  • UNII-1X8AK2Z46B

Systematic Names

  • (2-Hydroxyethyl)dimethyl sulfonium iodide alpha-phenyl cyclohexaneacetate
  • Sulfonium, (2-((cyclohexylphenylacetyl)oxy)ethyl)dimethyl-, iodide
  • Sulfonium, (2-hydroxyethyl)dimethyl-, iodide, alpha-phenylcyclohexaneacetate

Registry Numbers

CAS Registry Number

  • 3569-59-3

FDA UNII

  • 1X8AK2Z46B

System Generated Number

  • 0003569593

Molecular Formulas

Molecular Formulas

  • C18-H27-I-O2-S
  • C18-H27-O2-S.I

Molecular Formula Fragments

  • C18-H27-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H27O2S.HI/c1-21(2)14-13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1

InChIKey

LZXCSAFKUYXBTJ-UHFFFAOYSA-M

Smiles

C1CCCC(C1)[C@@H](c1ccccc1)C(OCC[S+](C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3200ug/kg (3.2mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 253, 1972.
mouse LDLo oral 270mg/kg (270mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 348, 1957.
mouse LDLo subcutaneous 220mg/kg (220mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 348, 1957.
rabbit LDLo intravenous 5mg/kg (5mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 348, 1957.
rat LDLo intravenous 7700ug/kg (7.7mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 20, Pg. 348, 1957.