loading...| Preferred Name |
gemcitabine hydrochloride |
|
| Synonyms |
2'-deoxy-2',2'-difluorocytidine hydrochloride C9H12ClF2N3O4 Gemcitabine HCl 2'-Deoxy-2',2'-difluorocytidine monohydrochloride 2',2'-Difluorodeoxycytidine monohydrochloride C9H11F2N3O4.HCl |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_31647 |
|
| Definition |
A 2'-deoxycytidine hydrochloriode having geminal fluoro substituents in the 2'-position. Gemcitabine hydrochloride is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_35221 |
|
| 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 |
InChIKey=OKKDEIYWILRZIA-OSZBKLCCSA-N |
|
| label |
gemcitabine hydrochloride |
|
| prefixIRI |
obo2:CHEBI_31647 |
|
| prefLabel |
gemcitabine hydrochloride |
|
| SMILES |
[H+].[Cl-].Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |
|
| Synonym |
2'-deoxy-2',2'-difluorocytidine hydrochloride C9H12ClF2N3O4 Gemcitabine HCl 2'-Deoxy-2',2'-difluorocytidine monohydrochloride 2',2'-Difluorodeoxycytidine monohydrochloride C9H11F2N3O4.HCl |
|
| xref |
ChEMBL:580382 CASRN:122111-03-9 Beilstein:5386970 DrugBank:DB00441 KEGG DRUG:D01155 |
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| subClassOf |