Epoetin Alfa
(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4R,5S,6R)-5-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
Molecular Identity
Epoetin Alfa
(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4R,5S,6R)-5-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
PubChem CID: 92043599
2D Structure
Properties
C42H73NO16
Molecular Formula
848.00
Molecular Weight
g/mol
847.4929
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
236
TPSA
May have limited oral absorption
7
H-Bond Donors
17
H-Bond Acceptors
1370
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CCO)C)OC4CC(C(C(O4)C)O)(C)OIsomeric SMILES
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCO)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OSynonyms(20)
EPOETIN ALFAEpoetin alpha113427-24-0Epoetina alfabinocritAbseamedProcritEpogenEprexEpogen/procritErythropoietin alfaErythropoietin-alfar-HuEPOERYPOHempoietine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Epoetin Alfa
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