Quinine
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Formula: C20H24N2O2
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Molecular weight: 324.40
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Smiles: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
Quinine
Names
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Mycotoxin name: Quinine
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First synonym: Quinine
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Synonyms: Quinine,130-95-0,Chinine,(-)-Quinine,Chinin,6'-Methoxycinchonidine,(8S,9R)-Quinine,quinine sulfate,Quinine anhydrous,(R)-(-)-quinine,Quinine, Anhydrous,Qualaquin,chininum,quinina,quinine bisulphate,Quinoline alkaloid,UNII-A7V27PHC7A,Aflukin,Quinamm,Quinine sulphate,CHEBI:15854,Quinine HCl,6-Methoxycinchonine,MFCD00198096,A7V27PHC7A,Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-,(R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol,Coco-Quinine,NSC 5362,Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-,6'-Methoxycinchonan-9-ol,Quinine, tannate,Chinin [German],Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-(+/-)-,Quinine tannate,Quinineanhydrous,GNF-Pf-506,130-89-2,(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol,(R)-[(2S,4S,5R)-1-Aza-5-vinylbicyclo[2.2.2]-oct-2-yl](6-methoxyquinolin-4-yl)methanol,(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol,72402-53-0,6'-Methoxycinchonine,Quinine [BAN:NF],CHEMBL170,Quinine tannate [USP],UNII-26MX5YAL2R,NSC 192949,Quinsan,(8-alpha,9R)-6'-Methoxycinchonan-9-ol,(R)-(-)-Quinine, 6-methoxycinchonidine,CCRIS 5755,NSC192949,HSDB 2501,NSC-192949,(-)quinine,QI9,EINECS 205-003-2,EINECS 215-805-4,Dentojel (*Bisulfate heptathydrate*),(8S,9R)-6'-Methoxycinchonan-9-ol,Biquinate (*Bisulfate heptathydrate*),Quinine, 90%,NSC667852,(9R)-6'-methoxy-8alpha-cinchonan-9-ol,Quine (*2:1 Sulfate salt*, dihydrate),(8.alpha.,9R)-6'-Methoxycinchonan-9-ol,Quinamm (*2:1 Sulfate salt*), dihydrate,Quinsan (*2:1 Sulfate salt*), dihydrate,Epitope ID:131786,EC 205-003-2,(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,26MX5YAL2R,SCHEMBL27031,Cinchonan-9-ol, 6'-methoxy-,GTPL2510,DTXSID0044280,Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9R)-, sulfate,(R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol,HMS2089E05,2-Quinuclidinemethanol, alpha-(6-methoxy-4-quinolyl)-5-vinyl-,ACT08125,STR03990,ZINC3831404,BDBM50367247,s4495,AKOS017343662,ACN-048717,DB00468,1407-83-6,I951,WR297608,AB0013943,X7113,(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol,O12066,18785-EP2272972A1,18785-EP2272973A1,18785-EP2275102A1,18785-EP2275411A2,18785-EP2277872A1,18785-EP2287153A1,18785-EP2305655A2,18785-EP2308883A1,18785-EP2314576A1,AB00375052-11,AB00375052-12,AB00375052_13,Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-,Q189522,Quinine, certified reference material, TraceCERT(R),BRD-K07940445-003-01-2,Q27166273,Z2235811384,(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol,(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol,(1R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol,Quinine, suitable for fluorescence, anhydrous, >=98.0% (dried material, NT),(alphaR)-alpha-[(4S)-5beta-Vinyl-1-azabicyclo[2.2.2]octane-2alpha-yl]-6-methoxyquinoline-4-methanol,(R)-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol,(R)-[(4S,5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
Identifiers / External links
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CAS: 130-89-2,1407-83-6,130-95-0,003-01-2,72402-53-0
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PubChem CID: 3034034
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DSS TOX CID: DTXCID60819897
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ChEMBL: CHEMBL27031,CHEMBL170
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US FDA (UNII): UNII-26MX5YAL2R,UNII-A7V27PHC7A
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Wikidata (wiki): Q189522,Q27166273
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Chemical Entities of Biological Interest (CHEBI): CHEBI:15854
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CompTox Chemicals Dashboard (DTXSID): DTXSID0044280
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SCHEMBL: SCHEMBL27031
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TOX21 samples 2:Tox21_112389
Structure
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Smiles: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
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Isomeric smiles: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
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Inchi: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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Inchikey: LOUPRKONTZGTKE-WZBLMQSHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H24N2O2
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Molecular weight: 324.40
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Monoisotopic mass: 324.183778013
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Fungi
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Fungi id Species 431 Diaporthe sp. CLF-J