Posaconazole-d4

For research use only. Not for therapeutic Use.

  • CAT Number: R010359
  • CAS Number: 1133712-26-1
  • Molecular Formula: C37H42F2N8O4
  • Molecular Weight: 704.82
  • Purity: ≥95%
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Posaconazole-d4(Cat No.:R010359) is a deuterated version of posaconazole, enhanced with four deuterium atoms. This isotopic modification significantly improves the compound’s analytical traceability and stability, making it ideal for pharmacokinetic studies and antifungal research. Posaconazole is a potent antifungal agent used primarily to prevent and treat invasive fungal infections. Posaconazole-d4 enables a more accurate and detailed study of the drug’s absorption, distribution, metabolism, and excretion, facilitating the development of effective dosing regimens and formulations to combat fungal diseases more efficiently.


Catalog Number R010359
CAS Number 1133712-26-1
Synonyms

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol-d4; Noxafil-d4; Sch 56592-d4

Molecular Formula C37H42F2N8O4
Purity ≥95%
Storage 2°C to 8°C
IUPAC Name 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
InChI 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
InChIKey RAGOYPUPXAKGKH-YWOVKAAPSA-N
SMILES [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]

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