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Vincristine

CAT: 0244-S9555-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAS Number
57-22-7

Chemical Information

Vincristine

Vincristine is a vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of leukaemia, lymphoma, myeloma, breast cancer and head and neck cancer. It has a role as a drug, an antineoplastic agent, a tubulin modulator, a microtubule-destabilising agent and a plant metabolite. It is a member of formamides, a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound, an acetate ester and a tertiary amino compound. It is a conjugate base of a vincristine(2+). It derives from a hydride of a vincaleukoblastine.

CAS Number57-22-7
PubChem CID5978
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC46H56N4O10
Molecular Weight825.0
XLogP2.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count60
Formal Charge0
Complexity1750
SMILES
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChI
InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
InChIKey
OGWKCGZFUXNPDA-XQKSVPLYSA-N
Chemical Structure
2D Structure
2D structure of Vincristine
CAS: 57-22-7
CID: 5978
Formula: C46H56N4O10
MW: 825.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight825.0
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass824.39964400
Monoisotopic Mass824.39964400
Topological Polar Surface Area171 Ų
Heavy Atom Count60
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5758103Vincristine
AB1324Vincristine Sulfate

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