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Substance Name: Ethanethiol, 2-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino-, hydrogen sulfate (ester)
RN: 21220-98-4
InChIKey: IEBGMYMKWUYBAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-F-N-O5-S2

Molecular Weight

  • 365.444
 
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Names and Synonyms

Synonym

  • S-2-((3-(2-(p-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-98-4

System Generated Number

  • 0021220984

Structure Descriptors

InChI

1S/C14H20FNO5S2/c15-13-4-2-12(3-5-13)14(20-9-10-21-14)6-1-7-16-8-11-22-23(17,18)19/h2-5,16H,1,6-11H2,(H,17,18,19)

InChIKey

IEBGMYMKWUYBAD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCC1(OCCO1)c1ccc(cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.