azelaic acid   

GtoPdb Ligand ID: 7484

Synonyms: Azelex® | Finacea® | ZK-62498
azelaic acid is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Azelaic acid is a saturated dicarboxylic acid, used clinically for its antibacterial and antiinflammatory actions, as well as for its ability to inhibit keratin and melanin production.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 74.6
Molecular weight 188.1
XLogP 1.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCCCCCCC(=O)O
Isomeric SMILES OC(=O)CCCCCCCC(=O)O
InChI InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChI Key BDJRBEYXGGNYIS-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name
Nonanedioic acid
International Nonproprietary Names
INN number INN
5883 azelaic acid
Synonyms
Azelex® | Finacea® | ZK-62498
Database Links
CAS Registry No. 123-99-9
ChEMBL Ligand CHEMBL1238
DrugBank Ligand DB00548
DrugCentral Ligand 270
GtoPdb PubChem SID 187051787
PubChem CID 2266
RCSB PDB Ligand AZ1
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Wikipedia Azelaic acid