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Substance Name: Methanethiol, N-bornylamidino-, hydrogen sulfate (ester)
RN: 40283-68-9
InChIKey: AKFGKNDBVKJPBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H22-N2-O3-S2

Molecular Weight

  • 306.449
 
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Names and Synonyms

Synonyms

  • NSC 187529
  • NSC 193430
  • S-((N-Bornylamidino)methyl) hydrogen thiosulfate

Systematic Names

  • Methanethiol, N-bornylamidino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)amino)ethyl) ester, endo- (9CI)

Registry Numbers

CAS Registry Number

  • 40283-68-9

System Generated Number

  • 0040283689

Structure Descriptors

InChI

1S/C12H22N2O3S2/c1-11(2)8-4-5-12(11,3)9(6-8)14-10(13)7-18-19(15,16)17/h8-9H,4-7H2,1-3H3,(H2,13,14)(H,15,16,17)

InChIKey

AKFGKNDBVKJPBX-UHFFFAOYSA-N

Smiles

S(SCC(N[C@@H]1[C@@]2(C(C)(C)[C@@H](C1)CC2)C)=N)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.