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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1675
CHEMBL1675
Compound Name VITAMIN A PALMITATE
ChEMBL Synonyms VITAMIN A SOLUBILIZED | AFAXIN | AQUASOL A | VI-DOM-A | ALPHALIN | VITAMIN A PALMITATE | DEL-VI-A | VITAMIN A
Max Phase 4 (Approved)
Trade Names AQUASOL A | AFAXIN | VITAMIN A SOLUBILIZED | VI-DOM-A | ALPHALIN | DEL-VI-A | VITAMIN A | VITAMIN A PALMITATE
Molecular Formula C36H60O2

Additional synonyms for CHEMBL1675 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1( ...
Download SMILES
Standard InChI InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25- ...
Download InChI
Standard InChI Key VYGQUTWHTHXGQB-FFHKNEKCSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1675

Molecule Features

CHEMBL1675 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov VITAMIN A PALMITATE
The Cochrane Collaboration VITAMIN A PALMITATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
524.9 524.4593 11.54 20 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 14.32 14.32 0 38 0.09

Structural Alerts

There are 17 structural alerts for CHEMBL1675. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VYGQUTWHTHXGQB-FFHKNEKCSA-N
DailyMed vitamin a vitamin a palmitate
PubChem SID: 144207001 SID: 144213325 SID: 26748810 SID: 57260141

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1675



ACToR 79-81-2 108066-99-5
Brenda 126813 137584 4561 5127 109800
CarotenoidDB CA01043
ChEBI 17616
DrugCentral 4197
eMolecules 533282
EPA CompTox Dashboard DTXSID1021241
FDA SRS 1D1K0N0VVC
Human Metabolome Database HMDB0003648
KEGG Ligand C02588
LipidMaps LMPR01090013
MolPort MolPort-003-666-488
Nikkaji J3.849K
PubChem 5280531
PubChem: Thomson Pharma 14836506
Rhea 17616
SureChEMBL SCHEMBL41649
ZINC ZINC000008214494

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