Octylphenoxy polyethoxyethanol
Identification
- Name
- Octylphenoxy polyethoxyethanol
- Accession Number
- DB04682
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 1527.9007
Monoisotopic: 1526.953507826 - Chemical Formula
- C74H142O31
- Synonyms
- Not Available
Pharmacology
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- Indication
- Not Available
- Contraindications & Blackbox Warnings
- Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UTroponin C, skeletal muscle Not Available Humans - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
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- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab The therapeutic efficacy of Abciximab can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Acenocoumarol The therapeutic efficacy of Acenocoumarol can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Acetaminophen The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Acetaminophen. Acetazolamide The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Acetazolamide. Acetohexamide The therapeutic efficacy of Acetohexamide can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Acetylsalicylic acid The therapeutic efficacy of Acetylsalicylic acid can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Alpelisib The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Alpelisib. Alteplase The therapeutic efficacy of Alteplase can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Aminoglutethimide The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Aminoglutethimide. Amobarbital The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Amobarbital. Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 9036-19-5
- InChI Key
- WEGJDERSZWOWIB-UHFFFAOYSA-N
- InChI
- InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3
- IUPAC Name
- 89-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol
- SMILES
- CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
References
- General References
- Not Available
- External Links
- PDB Entries
- 1ytz
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000553 mg/mL ALOGPS logP 1.31 ALOGPS logP 2.78 ChemAxon logS -6.4 ALOGPS pKa (Strongest Acidic) 15.12 ChemAxon pKa (Strongest Basic) -2.7 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 31 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 297.13 Å2 ChemAxon Rotatable Bond Count 93 ChemAxon Refractivity 395.97 m3·mol-1 ChemAxon Polarizability 187.66 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9806 Blood Brain Barrier + 0.85 Caco-2 permeable + 0.6549 P-glycoprotein substrate Substrate 0.7143 P-glycoprotein inhibitor I Non-inhibitor 0.6616 P-glycoprotein inhibitor II Inhibitor 0.5164 Renal organic cation transporter Non-inhibitor 0.8309 CYP450 2C9 substrate Non-substrate 0.7869 CYP450 2D6 substrate Non-substrate 0.7435 CYP450 3A4 substrate Substrate 0.6095 CYP450 1A2 substrate Non-inhibitor 0.9256 CYP450 2C9 inhibitor Non-inhibitor 0.8907 CYP450 2D6 inhibitor Non-inhibitor 0.9462 CYP450 2C19 inhibitor Non-inhibitor 0.8672 CYP450 3A4 inhibitor Non-inhibitor 0.6623 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9546 Ames test Non AMES toxic 0.8702 Carcinogenicity Non-carcinogens 0.7399 Biodegradation Not ready biodegradable 0.9103 Rat acute toxicity 2.0336 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8383 hERG inhibition (predictor II) Non-inhibitor 0.715
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets

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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Calcium ion binding
- Specific Function
- Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components: Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site fo...
- Gene Name
- TNNC2
- Uniprot ID
- P02585
- Uniprot Name
- Troponin C, skeletal muscle
- Molecular Weight
- 18121.895 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Drug created on September 11, 2007 17:49 / Updated on June 12, 2020 16:52