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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | quinine sulfate | |
| Synonyms |
Quinine hydrogen sulfate Quinine sulfate (2:1) Quinine sulfate anhydrous Quinine bisulfate bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate |
|
| 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 |
Reaxys:3582804 CAS:804-63-7 DrugBank:DB00468
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|
| definition |
A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio.
|
|
| formula |
C40H50N4O8S
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|
| has part | ||
| has role | ||
| has_exact_synonym |
bis[(8alpha,9R)-6'-methoxycinchonan-9-ol] sulfate
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Quinine hydrogen sulfate Quinine sulfate (2:1) Quinine sulfate anhydrous Quinine bisulfate
|
|
| id |
CHEBI:52250
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| 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
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|
| inchikey |
RONWGALEIBILOG-VMJVVOMYSA-N
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|
| label |
quinine sulfate
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|
| mass |
746.91200
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|
| monoisotopicmass |
746.33494
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|
| notation |
CHEBI:52250
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|
| prefLabel |
quinine sulfate
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|
| 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
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| treeView | ||
| subClassOf |
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