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CAS 1044535-61-6

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2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-, hydrochloride (1:1), (4bS,7R,8aR)-

Description:
2-Phenanthrenecarboxamide, specifically the compound with the provided name and CAS number 1044535-61-6, is a complex organic molecule characterized by its multi-ring structure, which includes a phenanthrene backbone. This compound features several functional groups, including a carboxamide and a trifluoromethyl group, which can influence its chemical reactivity and biological activity. The presence of a pyridine moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The hydrochloride salt form indicates that it is likely soluble in water, which can enhance its bioavailability. The stereochemistry, denoted by the (4bS,7R,8aR) configuration, implies specific spatial arrangements of atoms that can affect the compound's pharmacological properties. Overall, this substance may exhibit unique characteristics that could be explored for therapeutic applications, particularly in areas related to its structural and functional properties. Further studies would be necessary to elucidate its specific interactions and potential uses in various fields.
Formula:C29H29F3N2O2·ClH
InChI:InChI=1S/C29H29F3N2O2.ClH/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20;/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35);1H/t23-,27+,28-;/m1./s1
InChI key:InChIKey=IHLZSINDEDTWTB-KKVPRZDISA-N
SMILES:C([C@]12C=3C(=CC(C(NC4=C(C)N=CC=C4)=O)=CC3)CC[C@@]1(C[C@]([C@@](F)(F)F)(O)CC2)[H])C5=CC=CC=C5.Cl
Synonyms:
  • 2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-, hydrochloride (1:1), (4bS,7R,8aR)-
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