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gemcitabine hydrochloride

Go to external page http://purl.obolibrary.org/obo/CHEBI_31647

A 2'-deoxycytidine hydrochloriode having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine hydrochloride is used in the treatment of various carcinomas, including non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.

Term info

Label

gemcitabine hydrochloride

Synonyms
  • 2'-deoxy-2',2'-difluorocytidine hydrochloride
database cross reference
Subsets

3_STAR

IUPAC NAME
2'-deoxy-2',2'-difluorocytidine hydrochloride [ IUPAC ]

charge

0

formula

C9H11F2N3O4.HCl, C9H12ClF2N3O4

has obo namespace

chebi_ontology

has related synonym

2'-Deoxy-2',2'-difluorocytidine monohydrochloride, 2',2'-Difluorodeoxycytidine monohydrochloride, Gemcitabine HCl

id

CHEBI:31647

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

inchikey

OKKDEIYWILRZIA-OSZBKLCCSA-N

mass

299.65900

monoisotopicmass

299.04844

smiles

[H+].[Cl-].Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1