Cas no 120444-74-8 (N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate)

N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate structure
120444-74-8 structure
Product Name:N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate
CAS No:120444-74-8
MF:C24H35NO5
MW:417.538407564163
CID:63497
PubChem ID:6444392
Update Time:2025-04-18

N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate Chemical and Physical Properties

Names and Identifiers

    • N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate
    • DERAMICILANE FUMARATE
    • Egyt 3886
    • Egyt 3886 (endo)
    • Ethanamine, N,N-dimethyl-2-((1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-, (1R-endo)-, (E)-2-butenedioate (1:1)
    • N,N-dimethyl-2-{[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy}ethanamine (2E)-but-2-enedioate
    • (1R,2S,4R)-(-)-N,N-DiMethyl-2-[(1,7,7-triMethyl-2-phenylbicyclo[2.2.1]hept-2-yl)oxy]ethanaMine 2(E)-butenedioate (1:1)
    • (E)-but-2-enedioic acid;N,N-dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
    • N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-bu
    • Deramciclane (fumarate)
    • 120444-74-8
    • EGIS-3886 (fumarate)
    • Inchi： 1S/C20H31NO.C4H4O4/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16;5-3(6)1-2-4(7)8/h6-10,17H,11-15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,19-,20-;/m1./s1
    • InChI Key： RFQWRWCCNQNACG-TVWWZHKBSA-N
    • SMILES： O(CCN(C)C)[C@@]1(C2C=CC=CC=2)C[C@H]2CC[C@]1(C)C2(C)C.OC(/C=C/C(=O)O)=O

Computed Properties

  • Exact Mass: 417.25152322g/mol
  • Monoisotopic Mass: 417.25152322g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 518
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 87.1?2

N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate Related Literature

120444-74-8 (N,N-Dimethyl-2-[[(1R,2R,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]hept-2-yl]oxy]ethanamine (2E)-2-butenedioate) Related Products

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