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Substance Name: Ethanethiol, 2-(4-(9,10-dihydro-2-phenanthryl)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-66-8
InChIKey: IMWBCRPNDCWHIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O3-S2

Molecular Weight

  • 391.553
 
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Names and Synonyms

Synonyms

  • 2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3008171
  • S-2-((4-(9,10-Dihydro-2-phenanthryl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(9,10-dihydro-2-phenanthryl)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-66-8

System Generated Number

  • 0021224668

Structure Descriptors

InChI

1S/C20H25NO3S2/c22-26(23,24)25-14-13-21-12-4-3-5-16-8-11-20-18(15-16)10-9-17-6-1-2-7-19(17)20/h1-2,6-8,11,15,21H,3-5,9-10,12-14H2,(H,22,23,24)

InChIKey

IMWBCRPNDCWHIF-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCc1cc2CCc3ccccc3c2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.