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CHEBI:32295 - vindesine sulfate

ChEBI IDCHEBI:32295
ChEBI Namevindesine sulfate
Stars
Last Modified9 May 2007
DownloadsMolfile
FormulaC43H55N5O7.H2O4S
Net Charge0
Average Mass852.020
Monoisotopic Mass851.37753
SMILESO=S(=O)(O)O.[H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[N@](CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](O)[C@]2(O)C(N)=O)[C@]13[H]
InChIInChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1
InChIKeyCOFJBSXICYYSKG-FJFFLIEUSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vindesine sulfate (CHEBI:32295) has functional parent vindesine (CHEBI:36373)
vindesine sulfate (CHEBI:32295) has role antineoplastic agent (CHEBI:35610)
vindesine sulfate (CHEBI:32295) is a alkaloid sulfate salt (CHEBI:38013)
IUPAC Name 
3-carbamoyl-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine sulfate
Synonyms  Source
Fildesin (TN)KEGG DRUG
Vindesine sulfateKEGG DRUG
Vindesine sulfate saltChemIDplus
Desacetylvinblastine amide sulfateChemIDplus
EldesineChemIDplus
3-Carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine sulfate (1:1) (salt)ChemIDplus
Manual XrefsDatabases
D01769KEGG DRUG
Registry NumbersSources
CAS:59917-39-4KEGG DRUG
CAS:59917-39-4ChemIDplus