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CAS 1044535-58-1

:

(4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(phosphonooxy)-7-(trifluoromethyl)-2-phenanthrenecarboxamide

Description:
The chemical substance with the name "(4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(phosphonooxy)-7-(trifluoromethyl)-2-phenanthrenecarboxamide" and CAS number "1044535-58-1" is a complex organic compound characterized by its multi-ring structure, which includes a phenanthrene core. This compound features several functional groups, including a carboxamide, phosphonooxy, and trifluoromethyl groups, contributing to its potential biological activity and chemical reactivity. The presence of a pyridine moiety suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the specific configuration at various chiral centers may influence its pharmacological properties, including binding affinity and selectivity. Additionally, the trifluoromethyl group is known to enhance lipophilicity and metabolic stability, which can be advantageous in drug design. Overall, this compound's unique structural features and functional groups position it as a candidate for further research in pharmaceutical applications.
Formula:C29H30F3N2O5P
InChI:InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
InChI key:InChIKey=BVXLAHSJXXSWFF-KEKPKEOLSA-N
SMILES:C([C@]12C=3C(=CC(C(NC4=C(C)N=CC=C4)=O)=CC3)CC[C@@]1(C[C@@](OP(=O)(O)O)([C@@](F)(F)F)CC2)[H])C5=CC=CC=C5
Synonyms:
  • 2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(phosphonooxy)-7-(trifluoromethyl)-, (4bS,7R,8aR)-
  • (4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(phosphonooxy)-7-(trifluoromethyl)-2-phenanthrenecarboxamide
  • Fosdagrocorat
  • PF 04171327
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