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CAS 887196-25-0

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Calcium (βS,δR)-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate (1:2)

Description:
Calcium (βS,δR)-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate (1:2), with CAS number 887196-25-0, is a complex organic compound characterized by its unique structural features, including a pyrrole ring and multiple functional groups such as hydroxyl, carbonyl, and aromatic moieties. This compound exhibits a chiral configuration, indicated by the βS and δR designations, which can influence its biological activity and interactions. The presence of a fluorophenyl group may enhance its lipophilicity and potentially its pharmacological properties. As a calcium salt, it may also play a role in biological systems, possibly influencing calcium signaling pathways. The compound's intricate structure suggests potential applications in medicinal chemistry, particularly in the development of therapeutic agents. However, specific properties such as solubility, stability, and reactivity would require empirical investigation to fully understand its behavior in various environments.
Formula:C33H35FN2O5.1/2Ca
InChI:InChI=1S/C33H35FN2O5.Ca/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/t26-,27+;/m1./s1
InChI key:InChIKey=BWFCZHDTTAYGNN-OUPRKWGVSA-N
SMILES:C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@@H](CC(O)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca]
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