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CHEBI:3396 - Carbidopa-levodopa

Default Structure
ChEBI IDCHEBI:3396
ChEBI NameCarbidopa-levodopa
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H14N2O4.C9H11NO4
Net Charge0
Average Mass423.422
Monoisotopic Mass423.16416
SMILESCC(Cc1ccc(O)c(O)c1)(NN)C(=O)O.N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t;6-/m.0/s1
InChIKeyIVTMXOXVAHXCHI-ZCMDIHMWSA-N
ChEBI Ontology
Outgoing Relation(s)
Carbidopa-levodopa (CHEBI:3396) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Carbidopa-levodopaKEGG COMPOUND
Manual XrefsDatabases
C06870KEGG COMPOUND
Registry NumbersSources
CAS:57308-51-7KEGG COMPOUND