CHEBI:31941 - oxaliplatin

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ChEBI Name oxaliplatin
ChEBI ID CHEBI:31941
Definition A platinum coordination entity that is a commonly used chemothrepeutic drug for treatment of colorectal cancer.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C6H14N2.C2O4.Pt
C8H14N2O4Pt
Net Charge 0
Average Mass 397.28584
Monoisotopic Mass 397.060
InChI InChI=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
InChIKey ZROHGHOFXNOHSO-BNTLRKBRSA-L
SMILES [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 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 Sources
oxaliplatin KEGG DRUG
oxaliplatine ChEBI
oxaliplatino DrugBank
oxaliplatinum DrugBank
Synonyms Sources
(SP-4-2-(1R-trans))-(1,2-cyclohexanediamine-N,N')(ethanedioato(2−)-O,O')platinum ChemIDplus
oxalato(1,2-diaminocyclohexane)platinum(II) ChemIDplus
Oxaliplatin KEGG COMPOUND
Brand Name Source
Eloxatin KEGG DRUG
Database Links Databases
D01790 KEGG DRUG
DB00526 DrugBank
LSM-6352 LINCS
Oxaliplatin Wikipedia
View more database links
Registry Numbers Types Sources
1046012 Gmelin Registry Number Gmelin
15700099 Reaxys Registry Number Reaxys
28892 Gmelin Registry Number Gmelin
61825-94-3 CAS Registry Number KEGG COMPOUND
63121-00-6 CAS Registry Number ChemIDplus
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Last Modified
26 September 2017