Details of the Drug

General Information of Drug (ID: DM3GB6S)

Drug Name
Halobetasol propionate
Synonyms
Halobetasol; Miracorten; Ultravate; Halobetasol propionate [USAN]; Ulobetasol cream; Ulobetasol propionate; BMY 30056; CGP 14 458; CGP 14458; BMY-30056; CGP-14458; Halobetasol propionate (USAN); Ultravate (TN); [(6S,9R,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate; 21-Chloro-6alpha,9-difluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; 6 alpha-fluoroclobetasol 17-propionate; 6-fluoroclobetasol 17-propionate
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Approved [1]
Therapeutic Class
Antiinflammatory Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 485
Topological Polar Surface Area (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C25H31ClF2O5
IUPAC Name
[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Canonical SMILES
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl
InChI
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
BDSYKGHYMJNPAB-LICBFIPMSA-N
Cross-matching ID
PubChem CID
6918178
ChEBI ID
CHEBI:135782
CAS Number
66852-54-8
TTD ID
D00XPC
ACDINA ID
D01139

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid hormone receptor ERR (ESRR) TTP3UTW ERR1_HUMAN; ERR2_HUMAN; ERR3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Butylparaben E00142 7184 Antimicrobial preservative
Cetyl alcohol E00061 2682 Coating agent; Emollient; Emulsifying agent; Stiffening agent
methylparaben E00149 7456 Antimicrobial preservative
Propylparaben sodium E00567 23679044 Antimicrobial preservative
Diisopropyl adipate E00277 23368 Emollient
Monostearyl citrate E00510 11612014 Emollient
Aluminum stearate E00218 12496 Emollient; Emulsion stabilizing agent; Opacifying agent; Viscosity-controlling agent
Edetate disodium E00186 8759 Complexing agent
Glycerin E00026 753 Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Poloxamer 407 E00646 Not Available Emulsifying agent; Solubilizing agent; Surfactant
Polyethylene glycol 4000 E00654 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Propylene E00173 8252 Other agent
Propylene glycol E00040 1030 Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Sodium hydroxide E00234 14798 Alkalizing agent
Sorbitan monooleate E00503 9920342 Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Stearyl alcohol E00172 8221 Emollient; Emulsifying agent; Stiffening agent; Viscosity-controlling agent
Water E00035 962 Solvent
Diethyl sebacate E00162 8049 Emollient; Penetration agent
Octyldodecanol E00269 21414 Emollient; Emulsifying agent; Lubricant; Solvent; Viscosity-controlling agent
Polyoxyl 20 cetyl ether E00452 2724259 Emulsifying agent; Ointment base; Solubilizing agent; Surfactant
Sorbitan sesquioleate E00494 6433515 Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Sorbitan tristearate E00516 17800859 Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
⏷ Show the Full List of 22 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Halobetasol Propionate 0.05% lotion 0.05% Lotion Topical
Halobetasol Propionate 0.01% lotion 0.01% Lotion Topical
Halobetasol Propionate 0.05% ointment 0.05% Ointment Topical
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.