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CAS 381212-03-9

:

2-[(1S)-1-[(3aS,7aS)-7-[(7E)-2-[(2Z,3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide

Description:
The chemical substance known as 2-[(1S)-1-[(3aS,7aS)-7-[(7E)-2-[(2Z,3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide, with CAS number 381212-03-9, is a complex organic compound characterized by its intricate stereochemistry and functional groups. It features multiple chiral centers, indicating potential for stereoisomerism, which may influence its biological activity and interactions. The presence of a pentafluoropropyl group suggests enhanced lipophilicity and potential for unique interactions with biological membranes. Additionally, the compound contains hydroxyl groups, which can participate in hydrogen bonding, affecting solubility and reactivity. Its acetamide moiety may contribute to its pharmacological properties, making it of interest in medicinal chemistry. Overall, this substance's structural complexity and functional diversity position it as a candidate for further investigation in various chemical and biological applications.
Formula:C26H34F5NO4
InChI:InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1
InChI key:InChIKey=SVCSMAZYWOQCBW-NVJMFHFGSA-N
SMILES:C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC=C2[C@@H](OCC(NCC(C(F)(F)F)(F)F)=O)C)[H]
Synonyms:
  • Acetamide, 2-[(1S)-1-[(3aS,7aS)-7-[(7E)-2-[(2Z,3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)-
  • Pefcalcitol
  • Acetamide, 2-[(1S)-1-[(3aS,7E,7aS)-7-[(2Z)-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)-
  • M 5181
  • 2-[(1S)-1-[(3aS,7aS)-7-[(7E)-2-[(2Z,3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide
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Found 1 products.
  • Pefcalcitol
    Targetmol
    + Info

    Pefcalcitol

    CAS:
    <p>Pefcalcitol is a novel antipsoriatic prodrug candidate containing a 16-en-22-oxa-vitamin D3 structure.</p>
    Formula:C26H34F5NO4
    Color and Shape:Solid
    Molecular weight:519.54

    Ref: TM-T63626