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CHEBI:82524 - Prednimustine

Default Structure
ChEBI IDCHEBI:82524
ChEBI NamePrednimustine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC35H45Cl2NO6
Net Charge0
Average Mass646.652
Monoisotopic Mass645.26239
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1
InChIKeyHFVNWDWLWUCIHC-GUPDPFMOSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Prednimustine (CHEBI:82524) has role antineoplastic agent (CHEBI:35610)
Prednimustine (CHEBI:82524) is a corticosteroid hormone (CHEBI:36699)
INN  Source
prednimustinaWHO MedNet
Synonyms  Source
LEO-1031ChEMBL
NSC-134087ChEMBL
NSC-171345ChEMBL
PrednimustineChEMBL
prednisolone chlorambucil esterDrugCentral
sterecytDrugCentral
Manual XrefsDatabases
2244DrugCentral
C19512KEGG COMPOUND
D05602KEGG DRUG
Registry NumbersSources
CAS:29069-24-7KEGG COMPOUND
Citations