Cas no 865-24-7 (Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine)

Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine structure
865-24-7 structure
Product Name:Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine
CAS No:865-24-7
MF:C48H63N5O9
MW:854.041933298111
CID:721738
PubChem ID:86341918
Update Time:2025-04-19

Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine Chemical and Physical Properties

Names and Identifiers

    • Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine
    • Vinglycinate
    • 4-(N,N-dimethyl-glycyloxy)-3-hydroxy-15-(4-hydroxy-18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-16-methoxy-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester
    • Deacetylvincaleukoblastine 4-ester with N,N-dimethylglycine
    • O(sup 4)-Deacetylvincaleukoblastine 4-ester with N,N-dimethylglycine
    • Vincaleukoblastine,O(sup 4)-deacetyl-,4-ester with N,
    • Vinglicinato
    • Vinglicinato [INN-Spanish]
    • Vinglycinatum
    • Vinglycinatum [INN-Latin]
    • 865-24-7
    • Vincaleukoblastine, O4-deacetyl-, 4-ester with N,N-dimethylglycine
    • U98D43R3NC
    • UNII-U98D43R3NC
    • CHEMBL3990612
    • BRN 1207061
    • DTXSID801024700
    • Vinglycinate [INN]
    • Q26359136
    • Vincaleukoblastine, O(sup 4)-deacetyl-, 4-ester with N,N-dimethylglycine
    • methyl (1R,9R,10S,11R,12R,19R)-11-[2-(dimethylamino)acetyl]oxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
    • VINCALEUKOBLASTINE, 26-(DIMETHYLAMINO)-
    • methyl (3aR,3a1R,4R,5S,5aR,10bR)-4-((dimethylglycyl)oxy)-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
    • Inchi： 1S/C48H63N5O9/c1-9-44(57)24-29-25-47(42(55)60-7,38-31(16-20-52(26-29)28-44)30-14-11-12-15-34(30)49-38)33-22-32-35(23-36(33)59-6)51(5)40-46(32)18-21-53-19-13-17-45(10-2,39(46)53)41(48(40,58)43(56)61-8)62-37(54)27-50(3)4/h11-15,17,22-23,29,39-41,49,57-58H,9-10,16,18-21,24-28H2,1-8H3/t29-,39-,40+,41+,44-,45+,46+,47-,48-/m0/s1
    • InChI Key： YNSIUGHLISOIRQ-XGNYHKEJSA-N
    • SMILES： O(C(CN(C)C)=O)[C@H]1[C@](C(=O)OC)([C@H]2[C@@]3(C4C=C([C@]5(C(=O)OC)C6=C(C7C=CC=CC=7N6)CCN6C[C@](CC)(C[C@H](C6)C5)O)C(=CC=4N2C)OC)CCN2CC=C[C@]1(CC)[C@H]23)O

Computed Properties

  • Exact Mass: 853.46300
  • Monoisotopic Mass: 853.46257860g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 12
  • Complexity: 1770
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 157?2

Experimental Properties

  • PSA: 157.34000
  • LogP: 3.47340

Vincaleukoblastine,O4-deacetyl-, 4-ester with N,N-dimethylglycine Related Literature

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