Cas no 38990-17-9 ((3R,14S,16R)-Vincamine)

(3R,14S,16R)-Vincamine structure
(3R,14S,16R)-Vincamine structure
Product Name:(3R,14S,16R)-Vincamine
CAS No:38990-17-9
MF:C21H26N2O3
MW:354.442745685577
CID:4558329
PubChem ID:6957668
Update Time:2024-02-29

(3R,14S,16R)-Vincamine Chemical and Physical Properties

Names and Identifiers

    • methyl (41R,12S,13aR)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
    • Vinpocetine Impurity 17
    • (41R,12S,13aR)-methyl 13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
    • Vinpocetine Impurity P
    • Vinpocetine-8
    • (41R,12S,13aR)-methyl 13a-ethyl-12-hydroxy
    • Vincamine Impurity 7
    • methyl (41R,12S,13aR)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]phthyridine-12-carboxylate
    • (3R,14S,16R)-Vincamine
    • Inchi: 1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21-/m0/s1
    • InChI Key: RXPRRQLKFXBCSJ-TYPHKJRUSA-N
    • SMILES: O[C@]1(C(=O)OC)C[C@@]2(CC)CCCN3CCC4C5C=CC=CC=5N1C=4[C@H]32

Computed Properties

  • Exact Mass: 354.19434270g/mol
  • Monoisotopic Mass: 354.19434270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 598
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 54.7?2

Experimental Properties

  • Density: 1.36±0.1 g/cm3(Predicted)
  • Boiling Point: 508.9±50.0 °C(Predicted)
  • pka: 12.13±0.40(Predicted)

(3R,14S,16R)-Vincamine Pricemore >>

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