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Chemical structure of 1'-epi Gemcitabine hydrochloride

GC74183

1'-epi Gemcitabine hydrochloride

Also known as 4-amino-1-[(2S,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

1'-epi Gemcitabine drochloride is the isomer of Gemcitabine drochloride , and can be used as an experimental control

ChemicalCAS122111-05-1MW299.66FormulaC9H12ClF2N3O4
CAS number
122111-05-1
Molecular weight
299.66
Formula
C9H12ClF2N3O4
InChIKey
OKKDEIYWILRZIA-DNSZWREKSA-N
Catalogue number
GC74183
Brand
GLPBIO
Computed properties PubChem CID 46781465 · TPSA 108 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
108 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CN(C(=O)N=C1N)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl

Computed descriptors from PubChem (CID 46781465), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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