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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106073
CHEMBL2106073
Compound Name CETYL PALMITATE
ChEMBL Synonyms CETYL PALMITATE
Max Phase 0
Trade Names
Molecular Formula C32H64O2

Additional synonyms for CHEMBL2106073 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
Standard InChI InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-3 ...
Download InChI
Standard InChI Key PXDJXZJSCPSGGI-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106073

Molecule Features

CHEMBL2106073 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CETYL PALMITATE
The Cochrane Collaboration CETYL PALMITATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
480.9 480.4906 11.49 29 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 15.05 15.05 0 34 0.08

Structural Alerts

There are 11 structural alerts for CHEMBL2106073. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXDJXZJSCPSGGI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106073



ACToR 100231-74-1 540-10-3
Brenda 136850 30071 36666 101267 106257 46057 137403
ChEBI 75584
ChemicalBook CB8749079
eMolecules 503661
EPA CompTox Dashboard DTXSID5047114
FDA SRS 5ZA2S6B08X
IBM Patent System 5757B5977E40C2D2D74DD3D6890A8820
KEGG Ligand C13821
LipidMaps LMFA07010001
Mcule MCULE-7099724921
Metabolights MTBLC75584
MolPort MolPort-003-931-579
Nikkaji J65.556B
PubChem 10889
PubChem: Thomson Pharma 14785660
Rhea 75584
SureChEMBL SCHEMBL44487
ZINC ZINC000008437455

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PXDJXZJSCPSGGI-UHFFFAOYSA-N spacer
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