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Substance Name: Ethanethiol, 2-((4-(2,4-diisopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 38920-50-2
InChIKey: PPAUTAJXWWGFIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H31-N-O4-S2

Molecular Weight

  • 389.5779
 
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Names and Synonyms

Synonyms

  • 2-((4-(2,4-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
  • BRN 2482098

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38920-50-2

System Generated Number

  • 0038920502

Structure Descriptors

InChI

1S/C18H31NO4S2/c1-14(2)16-7-8-18(17(13-16)15(3)4)23-11-6-5-9-19-10-12-24-25(20,21)22/h7-8,13-15,19H,5-6,9-12H2,1-4H3,(H,20,21,22)

InChIKey

PPAUTAJXWWGFIP-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(c(c1)C(C)C)OCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.