Preferred Name |
quinine sulfate |
|
Synonyms |
bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate Quinine hydrogen sulfate Quinine sulfate (2:1) Quinine sulfate anhydrous Quinine bisulfate |
|
Definitions |
A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_52250 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:3582804 Reaxys:3582804 CAS:804-63-7 DrugBank:DB00468 |
|
definition |
A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio. |
|
formula |
C40H50N4O8S |
|
has part | ||
has role | ||
has_exact_synonym |
bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Quinine hydrogen sulfate Quinine sulfate (2:1) Quinine sulfate anhydrous Quinine bisulfate |
|
id |
CHEBI:52250 |
|
in_subset | ||
inchi |
InChI=1S/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1 |
|
inchikey |
RONWGALEIBILOG-VMJVVOMYSA-N |
|
label |
quinine sulfate |
|
mass |
746.91200 |
|
monoisotopicmass |
746.33494 |
|
notation |
CHEBI:52250 |
|
prefLabel |
quinine sulfate |
|
smiles |
[H+].[H+].[O-]S([O-])(=O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12 |
|
treeView | ||
subClassOf |