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Adelmidrol

CAT: 0931-T3954-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T3954-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1675-66-7
Target
PPAR, NF-κB, COX
Related Pathways
Immunology/Inflammation, Metabolism, Neuroscience, DNA Damage/DNA Repair, NF-κB
Purity
>99.99%
Bioactivity
Adelmidrol is an anti-inflammatory ethanolamide derivative of azelaic acid.
Smiles
C(C(NCCO)=O)CCCCCCC(NCCO)=O
Molecular Formula
C13H26N2O4
Molecular Weight
274.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adelmidrol

Adelmidrol is under investigation in clinical trial NCT01420510 (Saginil in vs. Placebo for Gynecologic Oncology Patients Affected by Vaginitis).

CAS Number1675-66-7
PubChem CID176874
IUPAC NameN,N'-bis(2-hydroxyethyl)nonanediamide
Molecular FormulaC13H26N2O4
Molecular Weight274.36
XLogP-0.3
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count19
Formal Charge0
Complexity223
SMILES
C(CCCC(=O)NCCO)CCCC(=O)NCCO
InChI
InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
InChIKey
PAHZPHDAJQIETD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adelmidrol
CAS: 1675-66-7
CID: 176874
Formula: C13H26N2O4
MW: 274.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.36
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass274.18925731
Monoisotopic Mass274.18925731
Topological Polar Surface Area98.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes