Cas no 54081-68-4 (Leurosine Sulfate)

Leurosine Sulfate structure
Leurosine Sulfate structure
Product Name:Leurosine Sulfate
CAS No:54081-68-4
MF:C92H114N8O22S
MW:1715.99498510361
CID:374610
PubChem ID:72710665
Update Time:2025-04-19

Leurosine Sulfate Chemical and Physical Properties

Names and Identifiers

    • Vincaleukoblastine, 4-deoxy-3,4-epoxy-, (3a,4a)-
    • Leurosine Sulfate
    • LEUROSINE
    • 4-Acetoxy-3’a,4’-epoxy-3-hydroxy-16-methoxy-(4’a H)-vincaleukoblast-6-ene-23,22’-dioic Acid Dimethyl Ester Sulfate
    • Lilly 32645
    • Vinleurosine Sulfate
    • Vinleurosine sulphate
    • UNII-G7E5NU015T
    • G7E5NU015T
    • VINCALEUKOBLASTINE, 4'-DEOXY-3',4'-EPOXY-, (3'.ALPHA.,4'.ALPHA.)-, SULFATE (2:1)
    • NSC 90636
    • Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, (3'.alpha.,4'.alpha.)-, sulfate (2:1) (salt)
    • 54081-68-4
    • methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
    • NSC-90636
    • Q27278884
    • Vinleurosine sulfate [USAN]
    • LY-32645
    • VINCALEUKOBLASTINE, 4'-DEOXY-3',4'-EPOXY-, (3'ALPHA,4'ALPHA)-, SULFATE (2:1)
    • DA-59013
    • Vinleurosine sulfate (USAN)
    • Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, (3'alpha,4'alpha)-, sulfate (2:1) (salt)
    • Inchi: 1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36+,37-,38+,39+,42+,43-,44+,45-,46-;/m00./s1
    • InChI Key: YCWXIQRLONXJLF-FOVAWKNMSA-N
    • SMILES: S(=O)(=O)(O)O.O(C(C)=O)[C@H]1[C@](C(=O)OC)([C@H]2[C@@]3(C4C=C(C(=CC=4N2C)OC)[C@]2(C(=O)OC)C4=C(C5C=CC=CC=5N4)CCN4C[C@@]5(CC)[C@@H]([C@H](C4)C2)O5)CCN2CC=C[C@]1(CC)[C@H]23)O.O(C(C)=O)[C@H]1[C@](C(=O)OC)([C@H]2[C@@]3(C4C=C(C(=CC=4N2C)OC)[C@]2(C(=O)OC)C4=C(C5C=CC=CC=5N4)CCN4C[C@@]5(CC)[C@@H]([C@H](C4)C2)O5)CCN2CC=C[C@]1(CC)[C@H]23)O

Computed Properties

  • Exact Mass: 808.405
  • Monoisotopic Mass: 808.405
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 10
  • Complexity: 1750
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 146A^2

Experimental Properties

  • Density: 1.39
  • Melting Point: >200°C (dec.)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.677

Leurosine Sulfate Security Information

  • Storage Condition:-20°C Freezer

Leurosine Sulfate Pricemore >>

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