Cas no 4752-37-8 (Vincine)

Vincine structure
Vincine structure
Product Name:Vincine
CAS No:4752-37-8
MF:C22H28N2O4
MW:384.468726158142
CID:332049
PubChem ID:12444841
Update Time:2024-02-29

Vincine Chemical and Physical Properties

Names and Identifiers

    • 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylicacid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-9-methoxy-, methylester, (12S,13aS,13bS)-
    • 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylicacid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy
    • Vincine
    • (+)-Vincine
    • 11-Methoxyvincamine
    • 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine,eburnamenine-14-carboxylic acid deriv.
    • Eburnamenine-14-carboxylicacid, 14,15-dihydro-14-hydroxy-11-methoxy-, methyl ester, (3a,14b,16a)- (9CI)
    • Vincine (7CI,8CI)
    • DTXSID901099186
    • 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylic acid, 13a-ethyl-2,3,5,6,12,13,13a,13b-octahydro-12-hydroxy-9-methoxy-, methyl ester, (12S,13aS,13bS)-
    • 4752-37-8
    • NS00094553
    • Inchi: 1S/C22H28N2O4/c1-4-21-9-5-10-23-11-8-16-15-7-6-14(27-2)12-17(15)24(18(16)19(21)23)22(26,13-21)20(25)28-3/h6-7,12,19,26H,4-5,8-11,13H2,1-3H3/t19-,21+,22+/m1/s1
    • InChI Key: QMSXPSURJTUZMP-HJNYFJLDSA-N
    • SMILES: O[C@]1(C(=O)OC)C[C@]2(CC)CCCN3CCC4C5C=CC(=CC=5N1C=4[C@@H]32)OC

Computed Properties

  • Exact Mass: 384.205
  • Monoisotopic Mass: 384.205
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 644
  • 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
  • Topological Polar Surface Area: 63.9
  • XLogP3: 2.8
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