Quick Facts
Instance of
type of chemical entity
Subclass of
N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
Properties
Canonical smiles
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C
Chemical formula
C₂₆H₃₃NO₂
Isomeric smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C
Mass
+391.251
World health organisation international non-proprietary name
fenretinide
Identifiers (30)
Cas registry number
65646-68-6
Chebi id
42588
Chembl id
CHEMBL7301
Chemspider id
4450416
Decs id
30728
Drugbank id
DB05076
Dsstox compound identifier
DTXCID0012005
Dsstox substance id
DTXSID2032005
Ec number
636-255-5
Echa substance infocard id
100.164.069
Freebase id
/m/02ppdcf
Inchi
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
Inchikey
AKJHMTWEGVYYSE-FXILSDISSA-N
Kegg id
D04162
Mesh descriptor id
D017313
Mesh tree code
D02.455.326.271.665.202.495.270, D02.455.426.392.368.367.379.249.700.270, D02.455.849.131.495.270, D23.767.261.700.270
Microsoft academic id (discontinued)
2780533455
Ndf-rt id
N0000171779
Nsc number
760419
Openalex id
C2780533455
Pdb ligand id
FEN
Pdb structure id
1FEL
Probes and drugs id
PD002707
Pubchem cid
5288209
Reaxys registry number
5769490
Rxnorm cui
24870
Surechembl id
11703, 19121
Umls cui
C0060197
Unichem compound id
285783
Unii
187EJ7QEXL