loading...| Preferred Name |
hydrocodone bitartrate |
|
| Synonyms |
3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one (2R,3R)-2,3-dihydroxybutanedioic acid pentahydrate Hydrocodone bitartrate hydrate 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one tartrate(1:1) hydrate (2:5) Dihydrocodeinone bitartrate hydrate Dihydrocodeinone bitartrate 2.5 hydrate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5780 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D00846 KEGG:D03725 CAS:34195-34-1 DrugBank:DB00956 Beilstein:3889102 |
|
| formula |
(C18H21NO3)2.(C4H6O6)2.5H2O |
|
| has part | ||
| has_exact_synonym |
3-methoxy-17-methyl-4,5alpha-epoxymorphinan-6-one (2R,3R)-2,3-dihydroxybutanedioic acid pentahydrate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Hydrocodone bitartrate hydrate 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one tartrate(1:1) hydrate (2:5) Dihydrocodeinone bitartrate hydrate Dihydrocodeinone bitartrate 2.5 hydrate |
|
| id |
CHEBI:5780 |
|
| in_subset | ||
| inchi |
InChI=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 |
|
| inchikey |
JMBRWJAVUIITGV-LNNMZZBZSA-N |
|
| label |
hydrocodone bitartrate |
|
| mass |
988.97864 |
|
| monoisotopicmass |
988.38999 |
|
| notation |
CHEBI:5780 |
|
| prefLabel |
hydrocodone bitartrate |
|
| smiles |
[H+].[H+].[H+].[H+].O.O.O.O.O.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.[H][C@]12CCC(=O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45.[H][C@]12CCC(=O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45 |
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| treeView | ||
| subClassOf |