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Substance Name: Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, citrate
RN: 38920-66-0
InChIKey: XMGUMXUNITXHKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O-S.C6-H8-O7

Molecular Weight

  • 431.5031
 
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Names and Synonyms

Synonym

  • 2-((4-(p-Tolyloxy)butyl)amino)ethanethiol citrate

Systematic Name

  • Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, citrate

Registry Numbers

CAS Registry Number

  • 38920-66-0

System Generated Number

  • 0038920660

Molecular Formulas

Molecular Formula

  • C13-H21-N-O-S.C6-H8-O7

Molecular Formula Fragments

  • C13-H21-N-O-S
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21NOS.C6H8O7/c1-12-4-6-13(7-5-12)15-10-3-2-8-14-9-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7,14,16H,2-3,8-11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

XMGUMXUNITXHKU-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)OCCCCNCCS.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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.