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Substance Name: 1-Propanethiol, 3-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate
RN: 38914-74-8
InChIKey: JKPNBDINHLNEKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O4-S2

Molecular Weight

  • 333.4707
 
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Names and Synonyms

Synonyms

  • BRN 2993276
  • S-3-((4-(p-Methoxyphenyl)butyl)amino)propyl hydrogen thiosulfate

Systematic Name

  • 1-Propanethiol, 3-(4-(p-methoxyphenyl)butyl)amino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 38914-74-8

System Generated Number

  • 0038914748

Structure Descriptors

InChI

1S/C14H23NO4S2/c1-19-14-8-6-13(7-9-14)5-2-3-10-15-11-4-12-20-21(16,17)18/h6-9,15H,2-5,10-12H2,1H3,(H,16,17,18)

InChIKey

JKPNBDINHLNEKN-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)CCCCNCCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 976, 1972.