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6'-methoxycinchonan-9-ol Dihydrochloride

UUID caf386d2-f82f-4dfc-b9be-f7c85aa50fa6
Deprecated yes
Replaced By 21cefb51-f5f0-4383-ba30-81e970574180
Flow Object IDfo-e6665343f9b4ed97
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 60-93-5
EC Numbers 200-493-4
prefLabel
Language Value Provenance
en 6'-methoxycinchonan-9-ol Dihydrochloride
altLabel
Language Value Provenance
en (-)-Quinine dihydrochloride
en Acid quinine hydrochloride
en Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9<em>R</em>)-
en Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9<em>R</em>)-
en Quinine bimuriate
en Quinine, dihydrochloride
References
Shared Properties
Predicate Value
InChIKey FJOBXTBQDSJADF-FLZPLBAKSA-N, FJOBXTBQDSJADF-UHFFFAOYSA-N, MPQKYZPYCSTMEI-FLZPLBAKSA-N, NNKXWRRDHYTHFP-CFUJSVGVSA-N, NNKXWRRDHYTHFP-HZQSTTLBSA-N, NNKXWRRDHYTHFP-JFHZPFNSSA-N, NNKXWRRDHYTHFP-RYQNUWOSSA-N, NNKXWRRDHYTHFP-UHFFFAOYSA-N, OJNHXCUBYFNKTH-RAXLEYEMSA-N, OJNHXCUBYFNKTH-UHFFFAOYSA-N
InChI InChI=1S/C15H17NO2/c1-18-14-5-3-2-4-12(14)10-13-15(17)11-6-8-16(13)9-7-11/h2-5,10-11H,6-9H2,1H3, InChI=1S/C15H17NO2/c1-18-14-5-3-2-4-12(14)10-13-15(17)11-6-8-16(13)9-7-11/h2-5,10-11H,6-9H2,1H3/b13-10-, InChI=1S/C20H24N2O2.2ClH.H2O/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;2*1H;1H2, InChI=1S/C20H24N2O2.2ClH.H2O/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;2*1H;1H2/t13-,14-,19-,20+;;;/m0.../s1, InChI=1S/C20H24N2O2.2ClH/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;2*1H, InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m0../s1, InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14-,19-,20+;;/m1../s1, InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13-,14?,19-,20+;;/m0../s1, InChI=1S/C20H24N2O2.2ClH/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;2*1H/t13?,14?,19?,20-;;/m1../s1, InChI=1S/C20H24N2O2.ClH.2H2O/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;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1
IUPAC name (2Z)-2-[(2-methoxyphenyl)methylene]quinuclidin-3-one, (2Z)-2-[(2-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, (2Z)-2-o-anisylidenequinuclidin-3-one, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;dihydrochloride, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;hydrate;dihydrochloride, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;hydron;dichloride, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrochloride, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydrate;dihydrochloride, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;hydron;dichloride, (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;dihydrochloride, (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;hydrate;dihydrochloride, (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;dihydrochloride, (R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrochloride, (R)-(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;dihydrochloride, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;dihydrate;hydrochloride, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;dihydrochloride, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;hydrate;dihydrochloride, (R)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol;dihydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;dihydrate;hydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;dihydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;hydrate;dihydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;hydron;dichloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;dihydrochloride, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydron;dichloride, (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;dihydrochloride, (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride, (S)-(6-methoxy-4-quinolyl)-[(2R,4R,5S)-5-vinylquinuclidin-2-yl]methanol;dihydrochloride, (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;dihydrochloride, (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride, 2-[(2-methoxyphenyl)methylene]quinuclidin-3-one, 2-[(2-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, 2-o-anisylidenequinuclidin-3-one, hydron;(6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;dichloride, hydron;(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;dichloride
Molecular formula C15H17NO2, C20H26Cl2N2O2, C20H28Cl2N2O3, C20H29ClN2O4
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@H]4C=C)O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@H](C3CC4CCN3CC4C=C)O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.Cl.Cl, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl, COC1=CC=CC=C1/C=C\2/C(=O)C3CCN2CC3, COC1=CC=CC=C1C=C2C(=O)C3CCN2CC3, [H+].[H+].COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.[Cl-].[Cl-], [H+].[H+].COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.[Cl-].[Cl-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 caf386d2-f82f-4dfc-b9be-f7c85aa50fa6 6'-methoxycinchonan-9-ol dihydrochloride

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=60-93-5; added Common Chemistry CAS names as altLabel: (-)-Quinine dihydrochloride, Acid quinine hydrochloride, Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9<em>R</em>)-, Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9<em>R</em>)-, Quinine bimuriate, Quinine, dihydrochloride; object_uuid=fo-e6665343f9b4ed97
cas_match_labels 1 consensus_match group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'60-93-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e6665343f9b4ed97: {'60-93-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(-)-Quinine dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acid quinine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9<em>R</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinine bimuriate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinine, dihydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60-93-5', 'https://commonchemistry.cas.org/detail?cas_rn=60-93-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; cas=60-93-5; added Common Chemistry CAS names as altLabel: (-)-Quinine dihydrochloride, Acid quinine hydrochloride, Cinchonan-9-ol, 6′-methoxy-, dihydrochloride, (8α,9<em>R</em>)-, Cinchonan-9-ol, 6′-methoxy-, hydrochloride (1:2), (8α,9<em>R</em>)-, Quinine bimuriate, Quinine, dihydrochloride; object_uuid=fo-e6665343f9b4ed97
cas_match_labels None {'60-93-5': 'exactMatch'} group_key=6'-methoxycinchonan-9-oldihydrochloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'60-93-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e6665343f9b4ed97: {'60-93-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "unit": "kg",
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        "COC1=CC=CC=C1C=C2C(=O)C3CCN2CC3",
        "[H+].[H+].COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.[Cl-].[Cl-]",
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