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Substance Name: Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)
RN: 63991-72-0
InChIKey: YCFUZOCNZLMFMG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O4-S2

Molecular Weight

  • 347.497
 
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Names and Synonyms

Synonym

  • 2-((5-(o-Tolyl)pentyl)amino)propanethiol, hydrogen sulfate (ester)

Systematic Name

  • Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 63991-72-0

System Generated Number

  • 0063991720

Structure Descriptors

InChI

1S/C15H25NO4S2/c1-20-15-10-5-4-9-14(15)8-3-2-6-11-16-12-7-13-21-22(17,18)19/h4-5,9-10,16H,2-3,6-8,11-13H2,1H3,(H,17,18,19)

InChIKey

YCFUZOCNZLMFMG-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCCNCCCCCc1c(OC)cccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.