CHEBI:32295 - vindesine sulfate

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ChEBI Name vindesine sulfate
ChEBI ID CHEBI:32295
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C43H55N5O7.H2O4S
C43H57N5O11S
Net Charge 0
Average Mass 852.00578
Monoisotopic Mass 851.37753
InChI InChI=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
InChIKey COFJBSXICYYSKG-FJFFLIEUSA-N
SMILES OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
3-Carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine sulfate (1:1) (salt) ChemIDplus
Desacetylvinblastine amide sulfate ChemIDplus
Eldesine ChemIDplus
Eldisine ChemIDplus
Fildesin (TN) KEGG DRUG
Vindesine sulfate KEGG DRUG
Vindesine sulfate salt ChemIDplus
Manual Xref Database
D01769 KEGG DRUG
View more database links
Registry Numbers Types Sources
59917-39-4 CAS Registry Number KEGG DRUG
59917-39-4 CAS Registry Number ChemIDplus
Last Modified
09 May 2007