Posaconazole D4

Product Name Posaconazole D4
Alternate Names Posaconazole Stable Isotopes, Stable Isotopes of Posaconazole
CAT No. CS-O-10954
CAS No. 1133712-26-1
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 704.80 g/mol
Mol. For. C₃₇H₃₈D₄F₂N₈O₄
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Posaconazole
Purity 95%
Therapeutic Anti-Fungals
Smileys [2H]C1=C(C(=C(C(=C1N2CCN(CC2)C3=CC=C(C=C3)OC[C@H]4C[C@](OC4)(CN5C=NC=N5)C6=C(C=C(C=C6)F)F)[2H])[2H])N7C=NN(C7=O)[C@@H](CC)[C@H](C)O)[2H]
Canonical Smiles CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
InchIKey RAGOYPUPXAKGKH-YWOVKAAPSA-N
Inchl InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1/i5D,6D,7D,8D
IUPAC 2-[(2S,3S)-2-hydroxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Controlled No
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Posaconazole D4 is a deuterated analog of posaconazole, which is a triazole antifungal agent used for the treatment of various fungal infections. The deuterium substitution in Posaconazole D4 provides a unique tool for pharmacokinetic and pharmacodynamic studies of posaconazole. Posaconazole D4 is typically used in clinical studies as a stable isotope-labeled internal standard for the quantification of posaconazole in biological fluids and tissues. It is also used in research to investigate drug-drug interactions, metabolism, and pharmacokinetics of posaconazole. The chemical formula of Posaconazole D4 is C37H41D4F2N5O4, and its molecular weight is 666.81 g/mol. It is a white to off-white powder with high purity and stability. The compound is soluble in organic solvents such as methanol, ethanol, and acetonitrile but insoluble in water. Posaconazole D4 is synthesized through deuterium exchange reactions using labeled starting materials. The compound is then purified using chromatography techniques to obtain a high-quality product. In conclusion, Posaconazole D4 is a valuable tool for pharmacokinetic and pharmacodynamic studies of posaconazole. Its unique properties allow for accurate quantification and investigation of the drug's metabolism and interactions, making it an essential component of research in antifungal therapy.

Related Compounds

Posaconazole D3 | Posaconazole Impurity 22 | Posaconazole Diastereoisomer Related Compound 4 | Posaconazole Diastereoisomer Related Compound 3 | rac-Posaconazole Diastereoisomer Related Compound 3 | Posaconazole D5 | Posaconazole-d7 |

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