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Chemical structure of Fostemsavir Tris

GC36072

Fostemsavir Tris

Also known as 2-amino-2-(hydroxymethyl)propane-1,3-diol;[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate

Fostemsavir Tris (BMS-663068 (Tris)) is the phosphonooxymethyl prodrug of BMS-626529

ChemicalCAS864953-39-9MW704.62FormulaC29H37N8O11P
CAS number
864953-39-9
Molecular weight
704.62
Formula
C29H37N8O11P
Solubility
DMSO： 125 mg/mL (177·40 mM)
InChIKey
RRGJSMBMTOKHTE-UHFFFAOYSA-N
Catalogue number
GC36072
Brand
GLPBIO
Computed properties PubChem CID 46892186 · TPSA 269 Ų · H-bond donors 6 · H-bond acceptors 15
TPSA
269 Ų
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
11
Heavy atoms
49

SMILES CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC.C(C(CO)(CO)N)O

Computed descriptors from PubChem (CID 46892186), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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