Difluocortolone pivalate

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
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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

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ULTRALAN KREM, 20 GDifluocortolone pivalate (0.25 %) + Fluocortolone caproate (0.25 %)CreamTopicalBAYER TÜRK KİMYA SAN. LTD. ŞTİ.2020-08-142017-12-19Turkey flag
ULTRAPROCT %0,09+%0,09+%0,5 MERHEM, 10 GDifluocortolone pivalate (0.09 %) + Cinchocaine hydrochloride (0.5 %) + Fluocortolone caproate (0.09 %)OintmentRectalABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş.2020-08-142020-12-29Turkey flag
ULTRAPROCT SUPOZITUAR, 10 ADETDifluocortolone pivalate (0.61 mg) + Cinchocaine hydrochloride (1 mg) + Fluocortolone caproate (0.63 mg)SuppositoryRectalABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş.2020-08-142020-12-29Turkey flag

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
ChemSpider
59756
ChEMBL
CHEMBL2106277

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical
OintmentRectal
SuppositoryRectal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00492 mg/mLALOGPS
logP4.23ALOGPS
logP4.25Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)13.61Chemaxon
pKa (Strongest Basic)-3.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area80.67 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity123.85 m3·mol-1Chemaxon
Polarizability50.61 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-1007900000-de9459a00dd19ce332c6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0504900000-135d9a234b39d0c0f4fa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-6109400000-fa6af766060b8017de39
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gvx-4409000000-03f8c1f81891c3c9f356
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2619000000-8394f84477123a5c651f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a70-5439100000-d9d462cc5fd67a326749
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.58727
predicted
DeepCCS 1.0 (2019)
[M+H]+195.90309
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.19633
predicted
DeepCCS 1.0 (2019)

Drug created at September 03, 2018 16:29 / Updated at August 21, 2020 19:35