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Chemical structure of Fosaprepitant Dimeglumine

GC10659

Fosaprepitant Dimeglumine

Also listed as Fosaprepitant dimeglumine salt

Fosaprepitant dimeglumine salt (MK-0517) is a prodrug of Aprepitant

ChemicalCAS265121-04-8MW1004.83FormulaC37H56F7N6O16P
CAS number
265121-04-8
Molecular weight
1004.83
Formula
C37H56F7N6O16P
Solubility
≥ 50·2415mg/mL in DMSO
InChIKey
VRQHBYGYXDWZDL-OOZCZQCLSA-N
Catalogue number
GC10659
Brand
GLPBIO
Computed properties PubChem CID 135564864 · TPSA 350 Ų · H-bond donors 15 · H-bond acceptors 27
TPSA
350 Ų
H-bond donors
15
H-bond acceptors
27
Rotatable bonds
19
Heavy atoms
67

SMILES C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NN(C(=O)N3)P(=O)(O)O)C4=CC=C(C=C4)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Computed descriptors from PubChem (CID 135564864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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