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Carbon-13
1'-Epi Gemcitabine-[13C,15N2] Hydrochloride

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1'-Epi Gemcitabine-[13C,15N2] Hydrochloride

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General Information
Catalog: BLP-008243
Molecular Formula: C8[13C]H11F2N[15N]2O4.HCl
Molecular Weight: 302.64

Chemical Structure

Description	1'-Epi Gemcitabine-[13C,15N2] Hydrochloride is the labelled analogue of 1'-Epi Gemcitabine Hydrochloride, which is an α-Anomer of Gemcitabine.
Synonyms	1'-Epi Gemcitabine-13C,15N2 Hydrochloride; 4-Amino-1-(2-deoxy-2,2-difluoro-α-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone-13C,15N2 Hydrochloride
IUPAC Name	4-amino-1-[(2S,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](2-13C,1,3-15N2)pyrimidin-2-one;hydrochloride
Related CAS	122111-05-1 (unlabelled)
Canonical SMILES	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl
InChI	InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6+,7+;/m1./s1/i8+1,13+1,14+1;
InChI Key	OKKDEIYWILRZIA-RQCSKJJRSA-N
Melting Point	214-216°C
Purity	98%
Solubility	Soluble in Methanol, Water
Appearance	Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere