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CHEBI:756758 - 4-demethyl-4-cholesteryloxycarbonylpenclomedine

Default Structure
ChEBI IDCHEBI:756758
ChEBI Name4-demethyl-4-cholesteryloxycarbonylpenclomedine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC35H48Cl5NO4
Net Charge0
Average Mass724.037
Monoisotopic Mass721.20260
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)Oc4c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c4Cl)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C35H48Cl5NO4/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(14-16-33(21,4)26(23)15-17-34(24,25)5)44-32(42)45-29-27(36)30(35(38,39)40)41-31(43-6)28(29)37/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,33+,34-/m1/s1
InChIKeyZJUUIXYKTPSIOH-LEZJFEBPSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
4-demethyl-4-cholesteryloxycarbonylpenclomedine (CHEBI:756758) has role antineoplastic agent (CHEBI:35610)
4-demethyl-4-cholesteryloxycarbonylpenclomedine (CHEBI:756758) is a cholestanoid (CHEBI:50401)
INN  Source
mipicoledineWHO MedNet
Synonyms  Source
4-demethyl-4-cholesteryloxycarbonylpenclomedineChEMBL
Dm-choc-penChEMBL