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CHEBI:5780 - hydrocodone bitartrate

ChEBI IDCHEBI:5780
ChEBI Namehydrocodone bitartrate
Stars
Last Modified28 July 2014
DownloadsMolfile
Formula4H.2C18H21NO3.2C4H4O6.5H2O
Net Charge0
Average Mass988.987
Monoisotopic Mass988.38999
SMILESO.O.O.O.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[H+].[H+].[H+].[H+].[H][C@@]12CCC(=O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5.[H][C@@]12CCC(=O)[C@@H]3Oc4c(OC)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/2C18H21NO3.2C4H6O6.5H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*3,6,11-12,17H,4-5,7-9H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10);5*1H2/t2*11-,12+,17-,18-;2*1-,2-;;;;;/m0011...../s1
InChIKeyJMBRWJAVUIITGV-LNNMZZBZSA-N
ChEBI Ontology
Outgoing Relation(s)
hydrocodone bitartrate (CHEBI:5780) has part hydrocodone (CHEBI:5779)
hydrocodone bitartrate (CHEBI:5780) is a tartrate salt (CHEBI:50562)
IUPAC Name 
3-methoxy-17-methyl-4,5α-epoxymorphinan-6-one (2R,3R)-2,3-dihydroxybutanedioic acid pentahydrate
Synonyms  Source
4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one tartrate(1:1) hydrate (2:5)ChemIDplus
Dihydrocodeinone bitartrate 2.5 hydrateChemIDplus
Dihydrocodeinone bitartrate hydrateChemIDplus
Hydrocodone bitartrate hydrateChemIDplus
Manual XrefsDatabases
DB00956DrugBank
D03725KEGG DRUG
D00846KEGG DRUG
Registry NumbersSources
Beilstein:3889102Beilstein
CAS:34195-34-1ChemIDplus