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Substance Name: Phosphoric acid, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyldiphenyl ester
RN: 172881-98-0
InChIKey: NRUDTXPIWXHQQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N2-O5-P

Molecular Weight

  • 504.5201
 
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Names and Synonyms

Synonym

  • 5,7-Dimethyl-6-oxo-2-(4-(diphenoxyphosphoryloxy)phenyl)-1,3-diazaadamantane

Systematic Name

  • Phosphoric acid, 4-(5,7-dimethyl-6-oxo-1,3-diazatricyclo(3.3.1.1(sup 3,7))dec-2-yl)phenyldiphenyl ester

Registry Numbers

CAS Registry Number

  • 172881-98-0

System Generated Number

  • 0172881980

Structure Descriptors

InChI

1S/C28H29N2O5P/c1-27-17-29-19-28(2,26(27)31)20-30(18-27)25(29)21-13-15-24(16-14-21)35-36(32,33-22-9-5-3-6-10-22)34-23-11-7-4-8-12-23/h3-16,25H,17-20H2,1-2H3

InChIKey

NRUDTXPIWXHQQD-UHFFFAOYSA-N

Smiles

CC12CN3CC(C1=O)(CN(C2)C3c4ccc(cc4)OP(=O)(Oc5ccccc5)Oc6ccccc6)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 4gm/kg (4000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 188, 1995.