Cas no 510-25-8 (1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer)

1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer structure
510-25-8 structure
Product Name:1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
CAS No:510-25-8
MF:C34H42N2O4
MW:542.708289623261
CID:369529
Update Time:2024-02-29

1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer
    • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) ester
    • 1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisom
    • BELLADONNA TOTAL ALKALOIDS
    • Belladonnine
    • bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
    • bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1-phenyl-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
    • Inchi： InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3
    • InChI Key： GERIGMSHTUAXSI-UHFFFAOYSA-N
    • SMILES： CN1C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)N3C)(c2ccccc2)c2ccccc12 |TLB:0:1:3.4:7.8.6,27:26:22.23:20.25.19|

Computed Properties

  • Exact Mass: 542.314
  • Monoisotopic Mass: 542.314
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 7
  • Complexity: 922
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59.1A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.24
  • Melting Point: 129°
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.627

1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer Related Literature

Related Categories

510-25-8 (1,4-Naphthalenedicarboxylicacid, 1,2,3,4-tetrahydro-1-phenyl-,1,4-bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester, stereoisomer) Related Products

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