5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide

• ChemBase ID: 105235
• Molecular Formular: C22H37NO3
• Molecular Mass: 363.53408
• Monoisotopic Mass: 363.27734405
• SMILES: CCCCC/C=C/CC(O)/C=C/C=C/C=C/C(O)CCCC(=O)N(C)C
• Canonical SMILES: CCCCC/C=C/CC(/C=C/C=C/C=C/C(CCCC(=O)N(C)C)O)O
• InChI: InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3
• InChIKey: BBJRTSLPWQUASB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
• IUPAC Traditional name: 5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
• Synonyms: LEUKOTRIENE B₄ DIMETHYL AMIDE

Database IDs

• CAS Number: 83024-92-4
• PubChem SID: 162092547
• PubChem CID: 71299726

CALCULATED PROPERTIES

• Acid pKa: 17.72082
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.7659574
• LogD (pH = 7.4): 3.765958
• Log P: 3.7659583
• Molar Refractivity: 114.6006 cm^3
• Polarizability: 42.74056 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02159168

Purity: 99%
50mg/ml ethanol
Antagonist of leukotriene B₄.

REFERENCES

• Falcone, R.C. and Aharony, D., J. Pharmacol. Exp. Ther., 255: 565, (1990).