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Substance Name: Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21208-82-2
InChIKey: ZCVXRVZBAKZWMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O6-S2

Molecular Weight

  • 350.414
 
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Names and Synonyms

Synonyms

  • 2-((4-(p-Nitrophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2168205
  • S-2-((4-(p-Nitrophenoxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(p-nitrophenoxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21208-82-2

System Generated Number

  • 0021208822

Structure Descriptors

InChI

1S/C12H18N2O6S2/c15-14(16)11-3-5-12(6-4-11)20-9-2-1-7-13-8-10-21-22(17,18)19/h3-6,13H,1-2,7-10H2,(H,17,18,19)

InChIKey

ZCVXRVZBAKZWMU-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.