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Substance Name: Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate
RN: 90378-85-1
InChIKey: UOFFFUARLHFHDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H22-N-O3-P-S.H2-O

Molecular Weight

  • 309.365
 
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Names and Synonyms

Synonym

  • 2-(1-Adamantyl)aminoethanethiol hydrogen phosphate (ester) hydrate

Systematic Name

  • Ethanethiol, 2-(1-adamantyl)amino-, hydrogen phosphate (ester), hydrate

Registry Numbers

CAS Registry Number

  • 90378-85-1

System Generated Number

  • 0090378851

Molecular Formulas

Molecular Formula

  • C12-H22-N-O3-P-S.H2-O

Molecular Formula Fragments

  • C12-H22-N-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H22NO3PS.H2O/c14-17(15,16)18-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11,13H,1-8H2,(H2,14,15,16);1H2

InChIKey

UOFFFUARLHFHDO-UHFFFAOYSA-N

Smiles

C1C2CC3CC(NCCSP(O)(O)=O)(C2)CC1C3.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 595, 1972.