Fosaprepitant Benzyl Ester
Fosaprepitant Benzyl Ester is a structural derivative of the antiemetic prodrug Fosaprepitant, characterized by the esterification of one of the acidic phosphate hydroxyl groups with a benzyl moiety, thereby transforming the dihydrogen phosphate into a monobenzyl hydrogen phosphate. This compound retains the phosphonooxymethyl-substituted morpholine core, featuring the (R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy and 3-(4-fluoro-2-methylphenyl) substituents at positions 2 and 3, respectively. The introduction of the benzyl ester specifically modifies the prodrug's phosphate functionality. It serves as a crucial HPLC reference standard for detecting impurities in Fosaprepitant manufacturing.
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Molecular Formula
C30H28F7N4O6P
Molecular Weight
704.5000
CAS Number
889852-02-2
PubChem CID
11505811 ↗
IUPAC Name
Benzyl hydrogen (3-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate
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🔬 Chemical Identifiers
FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)O[C@H]1OCCN([C@H]1C1=CC=C(C=C1)F)CC1=NN(C(N1)=O)P(OCC1=CC=CC=C1)(O)=O)(F)F
InChI=1S/C30H28F7N4O6P/c1-18(21-13-22(29(32,33)34)15-23(14-21)30(35,36)37)47-27-26(20-7-9-24(31)10-8-20)40(11-12-45-27)16-25-38-28(42)41(39-25)48(43,44)46-17-19-5-3-2-4-6-19/h2-10,13-15,18,26-27H,11-12,16-17H2,1H3,(H,43,44)(H,38,39,42)/t18-,26+,27-/m1/s1
QOXVNNXGBGMHCL-BLIZRMSTSA-N
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