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Substance Name: Ethanethiol, 2-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 21220-89-3
InChIKey: AYQPJCKAOYYPAN-JTQLQIEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H21-N-O5-S2

Molecular Weight

  • 299.41
 
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Names and Synonyms

Synonyms

  • 2-((3-(Tetrahydro-2H-pyran-2-yloxy)propyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((3-(Tetrahydro-2H-pyran-2-yloxy)propyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-89-3

System Generated Number

  • 0021220893

Structure Descriptors

InChI

1S/C10H21NO5S2/c12-18(13,17)16-9-6-11-5-3-8-15-10-4-1-2-7-14-10/h10-11H,1-9H2,(H,12,13,17)/t10-/m0/s1

InChIKey

AYQPJCKAOYYPAN-JTQLQIEISA-N

Smiles

O=[S@@](OCCNCCCO[C@H]1CCCCO1)(O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.