Cas no 135096-78-5 ((2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine)

(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine structure
135096-78-5 structure
Product Name:(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine
CAS No:135096-78-5
MF:C34H34N2O2
MW:502.645968914032
CID:900481
PubChem ID:10994730
Update Time:2024-11-08

(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine Chemical and Physical Properties

Names and Identifiers

    • (2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine
    • 4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]-6-methoxyquinoline
    • hydroquinine 9-phenanthryl ether
    • (3α,9R)-9-(anthracen-9-yloxy)-6'-methoxy-10,11-dihydrocinchonan
    • Hydroquinine-9-phenanthryl ether
    • 135096-78-5
    • O-(9-Phenanthryl)hydroquinine
    • J-006643
    • DTXSID80451112
    • A,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan
    • E75846
    • (8
    • SCHEMBL8198028
    • Hydroquinine-9-phenanthryl ether, 97%
    • BS-49071
    • (8,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan
    • Hydroquinine 9-phenanthryl ether,97%
    • CS-0104966
    • 4-[(R)-[(2S,4S,5R)-5-ETHYL-1-AZABICYCLO[2.2.2]OCTAN-2-YL](PHENANTHREN-9-YLOXY)METHYL]-6-METHOXYQUINOLINE
    • dhq-phn
    • Inchi： 1S/C34H34N2O2/c1-3-22-21-36-17-15-23(22)18-32(36)34(29-14-16-35-31-13-12-25(37-2)20-30(29)31)38-33-19-24-8-4-5-9-26(24)27-10-6-7-11-28(27)33/h4-14,16,19-20,22-23,32,34H,3,15,17-18,21H2,1-2H3/t22-,23-,32-,34+/m0/s1
    • InChI Key： TWOVHUYOMTVDRB-BDCWUMDOSA-N
    • SMILES： O(C1=CC2C=CC=CC=2C2C=CC=CC1=2)[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC

Computed Properties

  • Exact Mass: 502.26222
  • Monoisotopic Mass: 502.262028332g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 790
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 7.9
  • Topological Polar Surface Area: 34.6?2

Experimental Properties

  • Melting Point: 120?°C (dec.)(lit.)
  • PSA: 34.59

(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine Security Information

  • Hazardous Material transportation number：UN 1544
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： 26-36
  • FLUKA BRAND F CODES：9
  • Hazardous Material Identification： Xi
  • Risk Phrases：36/37/38
  • Packing Group：III
  • Hazard Level：6.1(b)
  • HazardClass：6.1(b)
  • PackingGroup：III

(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine Pricemore >>

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(2S,4S,5R)-5-Ethyl-2-((R)-(6-methoxyquinolin-4-yl)(phenanthren-9-yloxy)methyl)quinuclidine Related Literature

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