Gemcitabine

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Systematic / IUPAC Name: 4-Amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one

ID: Reference1047

Other Names: 4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;
Gemcin;
Gemtro;
Geo

Formula: C9H11F2N3O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Gemcitabine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/11/2014 1:06:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H11F2N3O4/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)/t4-,6-,7-/m1/s1
InChI Key SDUQYLNIPVEERB-QPPQHZFASA-N
Canonical SMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
CAS 95058814
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Other Names 4-Amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
4-Amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;
Gemcin;
Gemtro;
Geo

In Other Databases

ChEBI CHEBI:175901
ChemSpider 54753
Wikipedia Gemcitabine
DrugBank APRD00201
ChEMBL CHEMBL888
KEGG C07650; D02368
PubChem 60750
HMDb HMDB14584
ChemIDPlus 095058814; 103882844