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Substance Name: Methanethiol, N-(cycloheptylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (4:4:3)
RN: 40284-27-3
InChIKey: JDYPDROIHIKNOT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-O3-P-S.Na.3/4H2-O

Molecular Weight

  • 302.309
 
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Names and Synonyms

Synonym

  • Sodium hydrogen S-((N-cycloheptylmethylamidino)methyl) phosphorothioate hydrate (4:4:3)

Systematic Name

  • Methanethiol, N-(cycloheptylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (4:4:3)

Registry Numbers

CAS Registry Number

  • 40284-27-3

System Generated Number

  • 0040284273

Molecular Formulas

Molecular Formula

  • C10-H20-N2-O3-P-S.Na.3/4H2-O

Molecular Formula Fragments

  • C10-H20-N2-O3-P-S
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C10H21N2O3PS.Na/c11-10(8-17-16(13,14)15)12-7-9-5-3-1-2-4-6-9;/h9H,1-8H2,(H2,11,12)(H2,13,14,15);/q;+1/p-1

InChIKey

JDYPDROIHIKNOT-UHFFFAOYSA-M

Smiles

C1CCCC(CC1)CNC(=N)CSP(=O)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.