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Substance Name: Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)
RN: 23545-61-1
InChIKey: WRNWIYJRUVWHFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-N2-O3-S2

Molecular Weight

  • 224.304
 
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Names and Synonyms

Synonym

  • S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate

Systematic Name

  • Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 23545-61-1

System Generated Number

  • 0023545611

Structure Descriptors

InChI

1S/C6H12N2O3S2/c1-6(8-4-2-3-7)5-12-13(9,10)11/h6,8H,2,4-5H2,1H3,(H,9,10,11)

InChIKey

WRNWIYJRUVWHFF-UHFFFAOYSA-N

Smiles

S(=O)(O)(SC[C@@H](NCCC#N)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.