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Substance Name: Phosphoramidic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester
RN: 135732-03-5
InChIKey: KSQCDOQUSHATIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H62-N2-O10-P2

Molecular Weight

  • 816.904
 
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Names and Synonyms

Synonym

  • 2,2'-(Oxatriethylenedioxa)-di-(phenylethyl)-N-adamantylamidophosphate

Systematic Name

  • Phosphoramidic acid, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester

Registry Numbers

CAS Registry Number

  • 135732-03-5

System Generated Number

  • 0135732035

Structure Descriptors

InChI

1S/C42H62N2O10P2/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/h5-12,31-36H,3-4,13-30H2,1-2H3,(H,43,45)(H,44,46)

InChIKey

KSQCDOQUSHATIB-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C3)(C2)N[P@@](Oc1c(OCCOCCOCCOc2ccccc2O[P@@](NC23CC4CC(C2)CC(C3)C4)(OCC)=O)cccc1)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 22, Pg. 36, 1990.