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Substance Name: Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester (8CI)
RN: 2218-01-1
InChIKey: MWCUFZKVASOIHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N-O3-S2

Molecular Weight

  • 233.311
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-2-aminoethylthiosulfuric acid
  • BRN 2809152
  • WR 769

Systematic Names

  • alpha-Toluenethiol, alpha-(aminomethyl)-, hydrogen sulfate (7CI)
  • Thiosulfuric acid, S-(2-amino-1-phenylethyl) ester
  • Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester (8CI)

Registry Numbers

CAS Registry Number

  • 2218-01-1

System Generated Number

  • 0002218011

Structure Descriptors

InChI

1S/C8H11NO3S2/c9-6-8(13-14(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H,10,11,12)

InChIKey

MWCUFZKVASOIHQ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)S[C@@H](CN)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 234mg/kg (234mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
mouse LD50 subcutaneous 325mg/kg (325mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 857, 1988.