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Substance Name: Ethanethiol, 2,2'-(2,6-pyridinediyl)bis(oxypentamethyleneimino-, bis (hydrogen sulfate) (ester)
RN: 41287-20-1
InChIKey: PBTJOTZZTRRCSV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H35-N3-O8-S4

Molecular Weight

  • 561.7625
 
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Names and Synonyms

Synonyms

  • 5-21-04-00417 (Beilstein Handbook Reference)
  • BRN 1520767
  • Ethanethiosulfuric acid, 2,2'-(2,6-pyridinediyl)bis(oxypentamethyleneimino-

Systematic Name

  • Ethanethiol, 2,2'-(2,6-pyridinediyl)bis(oxypentamethyleneimino-, bis (hydrogen sulfate) (ester)

Registry Numbers

CAS Registry Number

  • 41287-20-1

System Generated Number

  • 0041287201

Structure Descriptors

InChI

1S/C19H35N3O8S4/c23-33(24,25)31-16-12-20-10-3-1-5-14-29-18-8-7-9-19(22-18)30-15-6-2-4-11-21-13-17-32-34(26,27)28/h7-9,20-21H,1-6,10-17H2,(H,23,24,25)(H,26,27,28)

InChIKey

PBTJOTZZTRRCSV-UHFFFAOYSA-N

Smiles

c1cc(nc(c1)OCCCCCNCCSS(=O)(=O)O)OCCCCCNCCSS(=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. 16, Pg. 319, 1973.