loading...| Preferred Name |
gemcitabine hydrochloride |
|
| Synonyms |
2'-deoxy-2',2'-difluorocytidine hydrochloride 2',2'-Difluorodeoxycytidine monohydrochloride 2'-Deoxy-2',2'-difluorocytidine monohydrochloride Gemcitabine HCl |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31647 |
|
| charge |
0 |
|
| chemical inhibits in vitro replication of virus | ||
| database_cross_reference |
DrugBank:DB00441 CAS:122111-03-9 Beilstein:5386970 KEGG:D01155 |
|
| definition source |
PMID: 24841273 |
|
| formula |
C9H12ClF2N3O4 C9H11F2N3O4.HCl |
|
| has exact synonym |
2'-deoxy-2',2'-difluorocytidine hydrochloride |
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_35221 http://purl.obolibrary.org/obo/CHEBI_74213 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2',2'-Difluorodeoxycytidine monohydrochloride 2'-Deoxy-2',2'-difluorocytidine monohydrochloride Gemcitabine HCl |
|
| id |
CHEBI:31647 |
|
| imported from | ||
| in subset | ||
| 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 |
|
| label |
gemcitabine hydrochloride |
|
| mass |
299.65900 |
|
| monoisotopicmass |
299.04844 |
|
| notation |
CHEBI:31647 |
|
| prefLabel |
gemcitabine hydrochloride |
|
| smiles |
[H+].[Cl-].Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |
|
| textual definition |
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. |
|
| subClassOf |
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