Difluocortolone pivalate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Difluocortolone pivalate
- DrugBank Accession Number
- DB14664
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 478.577
Monoisotopic: 478.253080585 - Chemical Formula
- C27H36F2O5
- Synonyms
- Diflucortolone pivalate
- External IDs
- SH 968
- SH-968
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image ULTRALAN KREM, 20 G Difluocortolone pivalate (0.25 %) + Fluocortolone caproate (0.25 %) Cream Topical BAYER TÜRK KİMYA SAN. LTD. ŞTİ. 2020-08-14 2017-12-19 Turkey ULTRAPROCT %0,09+%0,09+%0,5 MERHEM, 10 G Difluocortolone pivalate (0.09 %) + Cinchocaine hydrochloride (0.5 %) + Fluocortolone caproate (0.09 %) Ointment Rectal ABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 2020-12-29 Turkey ULTRAPROCT SUPOZITUAR, 10 ADET Difluocortolone pivalate (0.61 mg) + Cinchocaine hydrochloride (1 mg) + Fluocortolone caproate (0.63 mg) Suppository Rectal ABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş. 2020-08-14 2020-12-29 Turkey
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Pregnane steroids
- Direct Parent
- Gluco/mineralocorticoids, progestogins and derivatives
- Alternative Parents
- 20-oxosteroids / 11-beta-hydroxysteroids / 3-oxo delta-1,4-steroids / Halogenated steroids / Delta-1,4-steroids / Alpha-acyloxy ketones / Fluorohydrins / Cyclic ketones / Cyclic alcohols and derivatives / Carboxylic acid esters show 6 more
- Substituents
- 11-beta-hydroxysteroid / 11-hydroxysteroid / 20-oxosteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / 6-halo-steroid / 9-halo-steroid / Alcohol / Aliphatic homopolycyclic compound / Alkyl fluoride show 23 more
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ZR05N78276
- CAS number
- 15845-96-2
- InChI Key
- UWGRWFCLGQWKPR-GSTUPEFVSA-N
- InChI
- InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
- IUPAC Name
- 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2,2-dimethylpropanoate
- SMILES
- [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)C(C)(C)C)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
References
- General References
- Not Available
- External Links
- ChemSpider
- 59756
- ChEMBL
- CHEMBL2106277
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical Ointment Rectal Suppository Rectal - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00492 mg/mL ALOGPS logP 4.23 ALOGPS logP 4.25 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 13.61 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 80.67 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 123.85 m3·mol-1 Chemaxon Polarizability 50.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-1007900000-de9459a00dd19ce332c6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0fb9-0504900000-135d9a234b39d0c0f4fa Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6r-6109400000-fa6af766060b8017de39 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0gvx-4409000000-03f8c1f81891c3c9f356 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-2619000000-8394f84477123a5c651f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a70-5439100000-d9d462cc5fd67a326749 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 193.58727 predictedDeepCCS 1.0 (2019) [M+H]+ 195.90309 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.19633 predictedDeepCCS 1.0 (2019)
Drug created at September 03, 2018 16:29 / Updated at August 21, 2020 19:35