Cas no 130-87-0 (Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI))

Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI) structure
130-87-0 structure
Product Name:Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI)
CAS No:130-87-0
MF:C27H40N2O2
MW:424.61870765686
CID:181692
PubChem ID:101606
Update Time:2025-04-19

Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI)
    • (8α,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol
    • (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(6-methylheptoxy)quinolin-4-yl]methanol
    • (8alpha,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol
    • Vuzin
    • Vuzine
    • Einecs 205-000-6
    • Isooctylhydrocuprein
    • Isooctylhydrocupreine
    • sec-Octylhydrocupreine
    • Hydrocupreine, o(sup 6')-isooctyl-
    • Hydrocupreine 6-methylheptyl ether
    • (9R)-10,11-Dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol
    • Isooctyl hydrocuprein
    • 130-87-0
    • (8alpha,9R)-10,11-dihydro-6/'-[(6-methylheptyl)oxy]cinchonan-9-ol
    • Y3XEP4ERX7
    • DTXSID80926557
    • DIOGDSVVUWNLHM-UHFFFAOYSA-N
    • 2-Quinuclidinemethanol, 5-ethyl-alpha-(6-((6-methylheptyl)oxy)-4-quinolyl)-
    • 6'-[(6-methylheptyl)oxy]-10,11-dihydrocinchonan-9-ol
    • (9R)-10,11-Dihydro-6'-((6-methylheptyl)oxy)cinchonan-9-ol
    • UNII-Y3XEP4ERX7
    • Inchi： 1S/C27H40N2O2/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3
    • InChI Key： DIOGDSVVUWNLHM-UHFFFAOYSA-N
    • SMILES： OC(C1C=CN=C2C=CC(=CC=12)OCCCCCC(C)C)C1CC2CCN1CC2CC

Computed Properties

  • Exact Mass: 424.3092
  • Monoisotopic Mass: 424.308978523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 10
  • Complexity: 541
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 45.6?2

Experimental Properties

  • PSA: 45.59

Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI) Related Literature

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130-87-0 (Cinchonan-9-ol,10,11-dihydro-6'-[(6-methylheptyl)oxy]-, (8a,9R)- (9CI)) Related Products

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