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CHEBI:31941 - oxaliplatin

ChEBI IDCHEBI:31941
ChEBI Nameoxaliplatin
Stars
DefinitionA platinum coordination entity that is a commonly used chemothrepeutic drug for treatment of colorectal cancer.
Last Modified26 September 2017
DownloadsMolfile
FormulaC8H14N2O4Pt
Net Charge0
Average Mass397.288
Monoisotopic Mass397.06015
SMILES[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]12[O]C(=O)C(=O)[O]2
InChIInChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
InChIKeyZROHGHOFXNOHSO-BNTLRKBRSA-L
Wikipedia
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
oxaliplatin (CHEBI:31941) has role antineoplastic agent (CHEBI:35610)
oxaliplatin (CHEBI:31941) has role mutagen (CHEBI:25435)
oxaliplatin (CHEBI:31941) is a platinum coordination entity (CHEBI:33862)
Incoming Relation(s)
cucurbit[7]uril—oxaliplatin (CHEBI:51436) has part oxaliplatin (CHEBI:31941)
IUPAC Name 
(SP-4-2)[(1R,2R)-cyclohexane-1,2-diamine-κ2N,N'][ethanedioato(2−)-κ2O1,O2]platinum
INNs  Source
oxaliplatinKEGG DRUG
oxaliplatinoDrugBank
oxaliplatinumDrugBank
oxaliplatineChEBI
Synonyms  Source
OxaliplatinKEGG COMPOUND
(SP-4-2-(1R-trans))-(1,2-cyclohexanediamine-N,N')(ethanedioato(2−)-O,O')platinumChemIDplus
oxalato(1,2-diaminocyclohexane)platinum(II)ChemIDplus
Brand Name  Source
EloxatinKEGG DRUG
Manual XrefsDatabases
DB00526DrugBank
D01790KEGG DRUG
LSM-6352LINCS
OxaliplatinWikipedia
Registry NumbersSources
Gmelin:28892Gmelin
Gmelin:1046012Gmelin
Reaxys:15700099Reaxys
CAS:61825-94-3KEGG COMPOUND
CAS:63121-00-6ChemIDplus
Citations