oxaliplatin (CHEBI:31941)

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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

Average Mass

397.28584

Monoisotopic Mass

397.06015

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.

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

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

Last Modified

26 September 2017