Quinine hydrobromide

Base Information

• Chemical Name: Quinine hydrobromide
• CAS No.: 549-49-5
• Molecular Formula: 2BrH*C₂₀H₂₄N₂O₂
• Molecular Weight: 486.247
• Hs Code.: 29392000
• European Community (EC) Number: 208-967-2
• UNII: VWF36Q4G6V
• DSSTox Substance ID: DTXSID20203394
• Wikidata: Q27292054
• ChEMBL ID: CHEMBL2146105
• Mol file: 549-49-5.mol

Synonyms:QUININE HYDROBROMIDE;549-49-5;Bromoquinine;Dihydroquinine hydrobromide;Quinine hbr;Quinine, monohydrobromide;Quinine, monohbr;Quinine hydrobromide [NF];Chinin hydrobromid;UNII-VWF36Q4G6V;Chinin hydrobromid [German];VWF36Q4G6V;Anhydrous quinine hydrobromide;Quinine hydrobromide anhydrous;CCRIS 5753;EINECS 208-967-2;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide;Quinine (Hydrobromide);C20-H24-N2-O2.Br-H;Chininhydrobromid;Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8-alpha,9R)-;C20H24N2O2.BrH;SCHEMBL1694087;CHEMBL2146105;DTXSID20203394;QUININE HYDROBROMIDE [WHO-DD];ANHYDROUS QUININE HYDROBROMIDE [MART.];3-CHLORO-2-OXOPROPYLIDENETRIPHENYLPHOSPHORANE;Q27292054;CINCHONAN-9-OL, 6'-METHOXY-, MONOHBR, (8.ALPHA.,9R)-;Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8,9R)- (9CI);CINCHONAN-9-OL, 6'-METHOXY-, HBR (1:1), (8.ALPHA.,9R)-;CINCHONAN-9-OL, 6'-METHOXY-, HYDROBROMIDE (1:1), (8.ALPHA.,9R)-;CINCHONAN-9-OL, 6'-METHOXY-, MONOHYDROBROMIDE, (8.ALPHA.,9R)-;(R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrobromide

Chemical Property of Quinine hydrobromide

Chemical Property:

• Melting Point: 81-82 C
• Boiling Point: 495.9°Cat760mmHg
• Flash Point: 253.7°C
• PSA: 45.59000
• Density: 1.21g/cm³
• LogP: 4.06920
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 404.10994
• Heavy Atom Count: 25
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

QUININE HYDROBROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-42/43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Br