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6'-methoxycinchonan-9-ol Sulfate (salt)

UUID c6b78d12-7a81-4684-93b5-16896720042d
Flow Object IDfo-a06b8c1a6f7975f3
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 549-56-4
EC Numbers 208-970-9
prefLabel
Language Value Provenance
en 6'-methoxycinchonan-9-ol Sulfate (salt)
altLabel
Language Value Provenance
en Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)
en Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)
en Quinine bisulfate
en Quinine hydrogen sulfate
en Quinine, sulfate (1:1) (salt)
References
Shared Properties
Predicate Value
InChIKey AKYHKWQPZHDOBW-DSXUQNDKSA-N, AKYHKWQPZHDOBW-ONYPXIKLSA-N, AKYHKWQPZHDOBW-UHFFFAOYSA-N, QRINDWCWGOHSTN-FTCXZRKKSA-N, RONWGALEIBILOG-VMJVVOMYSA-N
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, InChI=1S/C20H24N2O2.2H2O4S.7H2O/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;2*1-5(2,3)4;;;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H2,1,2,3,4);7*1H2/t13-,14-,19-,20+;;;;;;;;;/m0........./s1, InChI=1S/C20H24N2O2.H2O4S/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;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4), InChI=1S/C20H24N2O2.H2O4S/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;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14+,19+,20+;/m0./s1, InChI=1S/C20H24N2O2.H2O4S/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;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1
IUPAC name (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2R,4R,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid, (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol;sulfuric acid;heptahydrate, (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;sulfuric acid;heptahydrate, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid, (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;heptahydrate, bis((R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methanol);sulfuric acid, bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol);sulfuric acid, bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Molecular formula C20H26N2O6S, C20H42N2O17S2, C40H50N4O8S
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O, COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c6b78d12-7a81-4684-93b5-16896720042d 6'-methoxycinchonan-9-ol sulfate (salt)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 6'-methoxycinchonan-9-ol sulfate (salt) Emissions/Emissions to air/Emissions to air, indoor kg exactMatch

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-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
cas_match_labels 1 consensus_match group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:549-56-4', 'https://commonchemistry.cas.org/detail?cas_rn=549-56-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:549-56-4', 'https://commonchemistry.cas.org/detail?cas_rn=549-56-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinine bisulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:549-56-4', 'https://commonchemistry.cas.org/detail?cas_rn=549-56-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinine hydrogen sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:549-56-4', 'https://commonchemistry.cas.org/detail?cas_rn=549-56-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Quinine, sulfate (1:1) (salt)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:549-56-4', 'https://commonchemistry.cas.org/detail?cas_rn=549-56-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; cas=549-56-4; added Common Chemistry CAS names as altLabel: Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1), Cinchonan-9-ol, 6′-methoxy-, (8α,9<em>R</em>)-, sulfate (1:1) (salt), Quinine bisulfate, Quinine hydrogen sulfate, Quinine, sulfate (1:1) (salt); object_uuid=fo-a06b8c1a6f7975f3
cas_match_labels None {'549-56-4': 'exactMatch'} group_key=6'-methoxycinchonan-9-olsulfate(salt)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'549-56-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a06b8c1a6f7975f3: {'549-56-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "indoor": "Unknown"
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