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Substance Name: Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2)
RN: 88313-60-4
InChIKey: WSWOSDJXYNYUCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H29-N2-O3-P-S.2H2-O

Molecular Weight

  • 384.475
 
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Names and Synonyms

Synonym

  • S-(N-(N-(Adamantyl-1)-3-aminopropyl)aminoethyl)thiophosphoric acid dihydrate

Systematic Name

  • Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2)

Registry Numbers

CAS Registry Number

  • 88313-60-4

System Generated Number

  • 0088313604

Molecular Formulas

Molecular Formula

  • C15-H29-N2-O3-P-S.2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

WSWOSDJXYNYUCD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80640ug/kg (80.64mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 716, 1983.
mouse LD50 parenteral 641mg/kg (641mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 716, 1983.