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Substance Name: Ethanethiol, 2-((4-(3,5-diisopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 39031-40-8
InChIKey: FUWZSUVUPBMAAQ-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-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
  • BRN 2480895

Systematic Name

  • Ethanethiol, 2-((4-(3,5-diisopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 39031-40-8

System Generated Number

  • 0039031408

Structure Descriptors

InChI

1S/C18H31NO4S2/c1-14(2)16-11-17(15(3)4)13-18(12-16)23-9-6-5-7-19-8-10-24-25(20,21)22/h11-15,19H,5-10H2,1-4H3,(H,20,21,22)

InChIKey

FUWZSUVUPBMAAQ-UHFFFAOYSA-N

Smiles

CC(C)c1cc(cc(c1)OCCCCNCCSS(=O)(=O)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.