Halobetasol (CED0011883)

Record Information

Version

1.0

Creation Date

2026-04-05 11:58:18 UTC

Update Date

2026-08-21 22:31:05 UTC

SynCED ID

CED0011883

Secondary Accession Numbers

CHEM100827

Identification

Common Name

Halobetasol

Class

Small Molecule

Description

Halobetasol belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula $\text{C}_{22}\text{H}_{27}\text{ClF}_2\text{O}_4$ and an average molecular weight of 428.90 g/mol. It is classified as a lipid and lipid-like molecule. The substance is found in or released from three recorded sources, including household cleaning and consumer products specifically categorized as other smoking requisites, as well as healthcare, pharmaceuticals, and veterinary products where it is used as a corticosteroid and antipsoriatic. The recorded route of exposure for this compound is topical. Halobetasol interacts with four recorded protein targets, acting as an agonist or modulator of the glucocorticoid receptor (NR3C1), the steroid hormone receptor ERR1 (ESRRA), the steroid hormone receptor ERR2 (ESRRB), and the estrogen-related receptor gamma (ESRRG).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₂₇ClF₂O₄

Average Molecular Mass

428.900 g/mol

Monoisotopic Mass

428.157 g/mol

CAS Registry Number

98651-66-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl

InChI Identifier

InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1

InChI Key

LEHFPXVYPMWYQD-XHIJKXOTSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0h00-0007900000-71749c494d9a14d186ae	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0149400000-55c1b019a1bd6caf5123	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0040-0189000000-0a4568ed85f5ec53f2a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0004900000-c88fa38b816bd58024c2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0096-2009500000-dd33b8ac78ad1e68a67d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a59-1309000000-b8d4ac9dfd985e167746	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
277.0 Log mg/kg [160:490]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000305	Antipsoriatics?Antipsoriatics are a class of synthetic chemicals used primarily to treat psoriasis and other skin disorders.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000309	Corticosteroids?Corticosteroids are synthetic drugs that mimic the effects of hormones produced by the adrenal glands and are widely used for their anti-inflammatory and immunosuppressive properties.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000560	Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

2 pathwaysPathway Source: PathBank

Ulobetasol Action Pathway

Ulobetasol Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.558 Applicability Domain 0.603 Statistical Significance 4.20e-04 Supporting Reference Compounds 154 E-value 3.26967
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.521 Applicability Domain 0.603 Statistical Significance 8.00e-05 Supporting Reference Compounds 40 E-value 0.622794
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.603 Statistical Significance 5.60e-04 Supporting Reference Compounds 119 E-value 4.35956
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.433 Applicability Domain 0.537 Statistical Significance 9.10e-04 Supporting Reference Compounds 73 E-value 7.08428
Click to view 3D structure	Tyrosine aminotransferase	P04694	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.429 Statistical Significance 5.00e-05 Supporting Reference Compounds 2 E-value 0.389246
Click to view 3D structure	Glucocorticoid receptor	P06536	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.401 Applicability Domain 0.603 Statistical Significance 4.80e-04 Supporting Reference Compounds 26 E-value 3.73676
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	Q9R1A7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.396 Applicability Domain 0.603 Statistical Significance 1.00e-05 Supporting Reference Compounds 12 E-value 0.0778492
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.603 Statistical Significance 0.0017 Supporting Reference Compounds 74 E-value 13.3122
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.439 Statistical Significance 0.009 Supporting Reference Compounds 258 E-value 70.3757
Click to view 3D structure	Pyruvate carboxylase, mitochondrial	P11498	Humans	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.603 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.537 Statistical Significance 0.0073 Supporting Reference Compounds 201 E-value 56.5964
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.519 Statistical Significance 0.0027 Supporting Reference Compounds 104 E-value 20.8636
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.603 Statistical Significance 0.0089 Supporting Reference Compounds 146 E-value 69.0523
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.537 Statistical Significance 0.0195 Supporting Reference Compounds 174 E-value 151.495
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.369 Statistical Significance 0.0524 Supporting Reference Compounds 145 E-value 407.619
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.369 Statistical Significance 0.2491 Supporting Reference Compounds 681 E-value 1938.99
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.369 Statistical Significance 0.0925 Supporting Reference Compounds 189 E-value 719.95
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.369 Statistical Significance 0.0982 Supporting Reference Compounds 258 E-value 764.713
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.369 Statistical Significance 0.3693 Supporting Reference Compounds 797 E-value 2875.13
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.519 Statistical Significance 0.6226 Supporting Reference Compounds 1538 E-value 4847.13
Click to view 3D structure	Phospholipase A2, membrane associated	P14555	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.603 Statistical Significance 0.0143 Supporting Reference Compounds 49 E-value 111.402
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.369 Statistical Significance 0.3778 Supporting Reference Compounds 735 E-value 2940.83
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.369 Statistical Significance 0.4109 Supporting Reference Compounds 811 E-value 3198.82
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.369 Statistical Significance 0.4207 Supporting Reference Compounds 834 E-value 3275.04
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.547 Statistical Significance 0.2255 Supporting Reference Compounds 310 E-value 1755.19