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vincristine

Go to external page http://purl.obolibrary.org/obo/CHEBI_28445

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.

Term info

Label

vincristine

Synonyms
  • 22-oxovincaleukoblastine
  • Vincristine
database cross reference
Subsets

3_STAR

IUPAC NAME
22-oxovincaleukoblastine [ IUPAC ]

charge

0

formula

C46H56N4O10

has alternative id

CHEBI:9987, CHEBI:27289

has obo namespace

chebi_ontology

has related synonym

oncovin, vinkristin, (+)-Vincristine, 22-oxo-vincaleukoblastine, 22-Oxovincaleukoblastine, leurocristine, vincristin, leucristine

id

CHEBI:28445

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

mass

824.95780

monoisotopicmass

824.39964

smiles

[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC