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Substance Name: Methanethiol, (N-cyclohexylmethyl)amidino-, hydrogen sulfate (ester)
RN: 40283-56-5
InChIKey: HBVPIONTJSERNY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O3-S2

Molecular Weight

  • 266.384
 
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Names and Synonyms

Synonyms

  • BRN 3965755
  • NSC 194285
  • S-((N-Cyclohexylmethylamidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, (N-cyclohexylmethyl)amidino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-((cyclohexylmethyl)amino)-2-iminoethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 40283-56-5

System Generated Number

  • 0040283565

Structure Descriptors

InChI

1S/C9H18N2O3S2/c10-9(7-15-16(12,13)14)11-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11)(H,12,13,14)

InChIKey

HBVPIONTJSERNY-UHFFFAOYSA-N

Smiles

S(SCC(=N)NCC1CCCCC1)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.