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Gemcitabine-[13C,15N2] Hydrochloride

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Gemcitabine-[13C,15N2] Hydrochloride

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General Information
Catalog: BLP-012368
CAS: 1262897-74-4
Molecular Formula: C8[13C]H12ClF2N[15N]2O4
Molecular Weight: 302.64

Chemical Structure

Description	Gemcitabine-[13C,15N2] Hydrochloride is the labelled analogue of Gemcitabine. Gemcitabine is an antitumor drug used for the treatment of multiple cancers.
Synonyms	Gemcitabine 13C,15N2 Hydrochloride
IUPAC Name	4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](2-13C,1,3-15N2)pyrimidin-2-one;hydrochloride
Related CAS	122111-03-9 (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-YUECSCTESA-N
Melting Point	246-251°C (dec.)
Purity	95% by HPLC; 95% atom 13C; 95% atom 15N
Solubility	Soluble in Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere