Alkaloids/Alfa Chemistry
Vincristine

Vincristine

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Catalog Number ACM57227
CAS Number 57-22-7
Structure
Description Vincristine (Leurocristine) is a microtubule-destabilizing agent (MDA). Vincristine binds to tubulin and inhibits the formation of microtubules, thereby inhibiting mitosis of the cancer cell. Vincristine is used to research hematologic cancers, such as leukemia and lymphoma, and childhood sarcomas.
Synonyms 22-Oxovincaleukoblastine
Molecular Weight 825
Molecular Formula C46H56N4O10
Canonical SMILES CC[C@@]1(C=CCN2CC3)[C@@]2([H])[C@@]3(C4=CC([C@](C5=C6C7=CC=CC=C7N5)(C[C@](C[C@](CC)(O)C8)([H])C[N@@]8CC6)C(OC)=O)=C(OC)C=C4N9C=O)[C@]9([H])[C@](C(OC)=O)(O)[C@@H]1OC(C)=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
InChI Key OGWKCGZFUXNPDA-XQKSVPLYSA-N
Purity 95%+
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
Complexity 1750
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 9
Exact Mass 824.399644
Heavy Atom Count 60
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 3
Isomeric 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
Monoisotopic Mass 824.399644
PhysicalState Powder
Rotatable Bond Count 10
Topological Polar Surface Area 171 Ų

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