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Substance Name: Ethanethiol, 2-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate
RN: 88313-59-1
InChIKey: ZVDGDPATCTXANE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H29-N2-O3-P-S.H2-O

Molecular Weight

  • 366.46
 
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Names and Synonyms

Synonym

  • S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)aminoethyl)thiophosphoric acid hydrate

Systematic Name

  • Ethanethiol, 2-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate

Registry Numbers

CAS Registry Number

  • 88313-59-1

System Generated Number

  • 0088313591

Molecular Formulas

Molecular Formula

  • C15-H29-N2-O3-P-S.H2-O

Molecular Formula Fragments

  • C15-H29-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H29N2O3PS.H2O/c18-21(19,20)22-4-3-16-1-2-17-11-15-8-12-5-13(9-15)7-14(6-12)10-15;/h12-14,16-17H,1-11H2,(H2,18,19,20);1H2

InChIKey

ZVDGDPATCTXANE-UHFFFAOYSA-N

Smiles

C1C2CC3(CNCCNCCSP(=O)(O)O)CC1CC(C2)C3.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 135mg/kg (135mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 716, 1983.