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Substance Name: Methanethiol, N-(3-phenoxypropyl)amidino-, hydrogen thiosulfate
RN: 40283-89-4
InChIKey: UEJUHUJBJZBBLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O4-S2

Molecular Weight

  • 304.3894
 
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Names and Synonyms

Synonym

  • S-((N-(3-Phenoxypropyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(3-phenoxypropyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 40283-89-4

System Generated Number

  • 0040283894

Structure Descriptors

InChI

1S/C11H16N2O4S2/c12-11(9-18-19(14,15)16)13-7-4-8-17-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,12,13)(H,14,15,16)

InChIKey

UEJUHUJBJZBBLW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OCCCNC(=N)CSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.