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Gemcitabine Triphosphate-[13C,15N2] Triethylamine Salt

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General Information
Catalog: BLP-006499
Molecular Formula: C14[13C]H29F2N2[15N]2O13P3
Molecular Weight: 607.31

Chemical Structure

Description	Gemcitabine Triphosphate-[13C,15N2] Triethylamine Salt is the labelled salt of Gemcitabine Triphosphate, which is a phosphorylated metabolite of Gemcitabine, an antineoplastic agent.
Synonyms	Gemcitabine Triphosphate-13C,15N2 Triethylamine Salt; 2'-Deoxy-2',2'-difluorocytidine 5'-(Tetrahydrogen Triphosphate)-13C,15N2 Triethylamine Salt; 2',2'-Difluorodeoxycytidine 5'-triphosphate-13C,15N2 Triethylamine Salt; 2,2-DF-Ctp-13C,15N2 Triethylamine Salt; GTF-13C,15N2 Triethylamine Salt
IUPAC Name	[[(2R,3R,5R)-5-(4-amino-2-oxo(2-13C,1,3-15N2)pyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;N,N-diethylethanamine
Related CAS	1035495-84-1 (unlabelled) 1233921-85-1 (free base) 110988-86-8 (unlabelled free base)
Canonical SMILES	CCN(CC)CC.C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F
InChI	InChI=1S/C9H14F2N3O13P3.C6H15N/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19;1-4-7(5-2)6-3/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19);4-6H2,1-3H3/t4-,6-,7-;/m1./s1/i8+1,13+1,14+1;
InChI Key	GYGIKKXGYQCANX-ACCKZTSYSA-N
Purity	>98%
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere