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Substance Name: Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorate
RN: 135719-18-5
InChIKey: NAPPLPSHCUAOSU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H62-Ca-N2-O10-P2.2Cl-O4

Molecular Weight

  • 1055.88
 
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Names and Synonyms

Synonym

  • 2,2'-(Oxatriethylenedioxa)-di-(phenylethyl)-N-adamantylamido phosphate calcium complex

Systematic Names

  • Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorate
  • Phosphoramidic acid, tricyclo(3.3.1.13,7)dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester, calcium complex

Registry Numbers

CAS Registry Number

  • 135719-18-5

System Generated Number

  • 0135719185

Molecular Formulas

Molecular Formula

  • C42-H62-Ca-N2-O10-P2.2Cl-O4

Molecular Formula Fragments

  • C42-H62-Ca-N2-O10-P2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C42H62N2O10P2.Ca.2ClHO4/c1-3-51-55(45,43-41-25-31-19-32(26-41)21-33(20-31)27-41)53-39-11-7-5-9-37(39)49-17-15-47-13-14-48-16-18-50-38-10-6-8-12-40(38)54-56(46,52-4-2)44-42-28-34-22-35(29-42)24-36(23-34)30-42;;2*2-1(3,4)5/h5-12,31-36H,3-4,13-30H2,1-2H3,(H,43,45)(H,44,46);;2*(H,2,3,4,5)/q;+2;;/p-2

InChIKey

NAPPLPSHCUAOSU-UHFFFAOYSA-L

Smiles

C1C2CC3(CC1CC(C2)C3)N[P@@](OCC)(=O)Oc1ccccc1OCCOCCOCCOc1ccccc1O[P@@](OCC)(=O)NC12CC3CC(CC(C2)C3)C1.[Ca+2].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 22, Pg. 36, 1990.