Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanethiol, 2-((5-aminopentyl)amino)-, dihydrogen phosphate (ester), monohydrate
RN: 20724-76-9
InChIKey: QFAVBLKMVBLZHV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H19-N2-O3-P-S.H2-O

Molecular Weight

  • 242.2781
 
* 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

Synonyms

  • 2-((5-Aminopentyl)amino)ethanethiol dihydrogen phosphate (ester) monohydrate
  • AU 69115
  • Pentaphos
  • S-2-(5-Aminopentylamino)ethylphosphorothioic acid monohydrate
  • WR 2823

Systematic Names

  • Ethanethiol, 2-((5-aminopentyl)amino)-, dihydrogen phosphate (ester), monohydrate
  • Phosphorothioic acid, S-(2-((5-aminopentyl)amino)ethyl) ester monohydrate (8CI)

Registry Numbers

CAS Registry Number

  • 20724-76-9

System Generated Number

  • 0020724769

Molecular Formulas

Molecular Formula

  • C7-H19-N2-O3-P-S.H2-O

Molecular Formula Fragments

  • C7-H19-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C7H19N2O3PS/c8-4-2-1-3-5-9-6-7-14-13(10,11)12/h9H,1-8H2,(H2,10,11,12)

InChIKey

QFAVBLKMVBLZHV-UHFFFAOYSA-N

Smiles

C(CCN)CCNCCSP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 400mg/kg (400mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. AD-A119-856,
guinea pig LD50 intraperitoneal 272mg/kg (272mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. AD-A119-856,
guinea pig LD50 oral 800mg/kg (800mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
National Technical Information Service. Vol. AD-A119-856,
mouse LD50 intraperitoneal 580mg/kg (580mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. AD-A119-856,
mouse LD50 oral 374mg/kg (374mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. AD-A119-856,
rat LD50 intravenous 543mg/kg (543mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
National Technical Information Service. Vol. AD-A119-856,
rat LD50 oral 2037mg/kg (2037mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. AD-A119-856,