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Substance Name: Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate
RN: 21208-80-0
InChIKey: GVAQGXFHYGHMRN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O4-S2

Molecular Weight

  • 319.444
 
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Names and Synonyms

Synonyms

  • S-2-((4-(p-Methoxyphenyl)butyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-2-((4-(p-methoxyphenyl)butyl)amino)ethyl ester

Systematic Name

  • Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 21208-80-0

System Generated Number

  • 0021208800

Structure Descriptors

InChI

1S/C13H21NO4S2/c1-18-13-7-5-12(6-8-13)4-2-3-9-14-10-11-19-20(15,16)17/h5-8,14H,2-4,9-11H2,1H3,(H,15,16,17)

InChIKey

GVAQGXFHYGHMRN-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCc1ccc(cc1)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 976, 1972.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07067,