Zalcitabine

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Systematic / IUPAC Name: 4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone

ID: Reference1942

Other Names: Dideoxycytidine;
Zalcitibine;
2,3-Dideoxycytidine;
1-(2,3-Dideoxy-β-D-ribofuranosyl)cytosine;
4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one ; more

Formula: C9H13N3O3

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 2:50:01 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChI Key WREGKURFCTUGRC-POYBYMJQSA-N
Canonical SMILES C1CC(OC1CO)N2C=CC(=NC2=O)N
CAS 7481892
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Other Names Dideoxycytidine;
Zalcitibine;
2,3-Dideoxycytidine;
1-(2,3-Dideoxy-β-D-ribofuranosyl)cytosine;
4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one;
4-Amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-YL]-1,2-dihydropyrimidin-2-one;
4-Amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;
3-[(5S,2R)-5-(Hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one

In Other Databases

ChemIDPlus 007481892
DrugBank APRD00562
PubChem 24066
KEGG C07207; D00412
ChEMBL CHEMBL853
ChEBI CHEBI:10101
Wikipedia Zalcitabine
ChemSpider 22498
HMDb HMDB15078