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Substance Name: Propanethiol, 3-((4-(2-isopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 38920-48-8
InChIKey: KCAPVMUYUKCPKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N-O4-S2

Molecular Weight

  • 361.5243
 
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Names and Synonyms

Synonyms

  • 3-((4-(2-Isopropylphenoxy)butyl)amino)propanethiol, hydrogen sulfate (ester)
  • BRN 2478560

Systematic Name

  • Propanethiol, 3-((4-(2-isopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 38920-48-8

System Generated Number

  • 0038920488

Structure Descriptors

InChI

1S/C16H27NO4S2/c1-14(2)15-8-3-4-9-16(15)21-12-6-5-10-17-11-7-13-22-23(18,19)20/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3,(H,18,19,20)

InChIKey

KCAPVMUYUKCPKM-UHFFFAOYSA-N

Smiles

CC(C)c1ccccc1OCCCCNCCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.