Cas no 549-49-5 (Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)-)

Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)- structure
549-49-5 structure
Product Name:Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)-
CAS No:549-49-5
MF:C20H25BrN2O2
MW:405.328704595566
CID:372527
PubChem ID:9822548
Update Time:2025-04-19

Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)- Chemical and Physical Properties

Names and Identifiers

    • Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)-
    • (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,hydrobromide
    • QUININE HYDROBROMIDE
    • Bromoquinine
    • Chinin hydrobromid
    • Chinin hydrobromid [German]
    • EINECS 208-967-2
    • Quinine hydrobromide [NF]
    • Quinine,monohydrobromide
    • UNII-VWF36Q4G6V
    • Dihydroquinine hydrobromide
    • Q27292054
    • CINCHONAN-9-OL, 6'-METHOXY-, MONOHYDROBROMIDE, (8.ALPHA.,9R)-
    • Quinine, monohbr
    • Chininhydrobromid
    • Quinine, monohydrobromide
    • 549-49-5
    • CHEMBL2146105
    • Quinine hbr
    • (R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrobromide
    • Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8-alpha,9R)-
    • CINCHONAN-9-OL, 6'-METHOXY-, MONOHBR, (8.ALPHA.,9R)-
    • CINCHONAN-9-OL, 6'-METHOXY-, HYDROBROMIDE (1:1), (8.ALPHA.,9R)-
    • CCRIS 5753
    • Anhydrous quinine hydrobromide
    • ANHYDROUS QUININE HYDROBROMIDE [MART.]
    • VWF36Q4G6V
    • Quinine hydrobromide anhydrous
    • Quinine (Hydrobromide)
    • QUININE HYDROBROMIDE [WHO-DD]
    • CINCHONAN-9-OL, 6'-METHOXY-, HBR (1:1), (8.ALPHA.,9R)-
    • Cinchonan-9-ol, 6'-methoxy-, monohydrobromide, (8,9R)- (9CI)
    • NS00080343
    • DTXSID20203394
    • SCHEMBL1694087
    • 3-CHLORO-2-OXOPROPYLIDENETRIPHENYLPHOSPHORANE
    • (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
    • Inchi： 1S/C20H24N2O2.BrH/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/t13-,14-,19-,20+;/m0./s1
    • InChI Key： HDZGBIRSORQVNB-DSXUQNDKSA-N
    • SMILES： Br.O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C

Computed Properties

  • Exact Mass: 404.11000
  • Monoisotopic Mass: 404.109941
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 457
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 45.6

Experimental Properties

  • Density: 1.21
  • Melting Point: 81-82 C
  • Boiling Point: 495.9°Cat760mmHg
  • Flash Point: 253.7°C
  • PSA: 45.59000
  • LogP: 4.06920

Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)- Security Information

  • Hazardous Material transportation number：UN 1544
  • Hazard Category Code： 20/21/22-36/37/38-42/43
  • Safety Instruction： 26-36
  • RTECS：VA7650000
  • Hazardous Material Identification： Xn Xi
  • HazardClass：6.1(b)
  • PackingGroup：III
  • Safety Term：6.1(b)
  • Packing Group：III
  • Risk Phrases：R20/21/22; R36/37/38; R42/43
  • Packing Group：III
  • Hazard Level：6.1(b)

Cinchonan-9-ol,6'-methoxy-, hydrobromide (1:1), (8a,9R)- Customs Data

  • HS CODE：29392000
  • Customs Data：

    China Customs Code:

    29392000

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