Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate
RN: 70561-82-9
InChIKey: SRWMQRSLTLJWRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H17-N2-O3-P-S.2H2-O

Molecular Weight

  • 228.2513
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • S-2,6-Diaminohexyl dihydrogen phosphorothioate dihydrate

Systematic Name

  • Phosphorothioic acid, S-2,6-diaminohexyl ester, dihydrate

Registry Numbers

CAS Registry Number

  • 70561-82-9

System Generated Number

  • 0070561829

Molecular Formulas

Molecular Formula

  • C6-H17-N2-O3-P-S.2H2-O

Molecular Formula Fragments

  • C6-H17-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C6H17N2O3PS/c7-4-2-1-3-6(8)5-13-12(9,10)11/h6H,1-5,7-8H2,(H2,9,10,11)

InChIKey

SRWMQRSLTLJWRD-UHFFFAOYSA-N

Smiles

C(CCN)CC(CSP(=O)(O)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.
mouse LD50 oral 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.