Gepirone (CED0010819)

Record Information

Version

1.0

Creation Date

2026-04-05 11:26:53 UTC

Update Date

2026-08-20 04:09:35 UTC

SynCED ID

CED0010819

Secondary Accession Numbers

CHEM100038

Identification

Common Name

Gepirone

Class

Small Molecule

Description

Gepirone is an organic compound with the chemical formula C19H29N5O2 and an average molecular weight of 359.47 g/mol. Gepirone belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is classified as an organoheterocyclic compound. In terms of biological activity, gepirone acts as an agonist and partial agonist of the 5-hydroxytryptamine receptor 1A (HTR1A). The compound is found in or released from five recorded sources, which include antidepressants within healthcare, pharmaceuticals, and veterinary products, as well as non-electric simulated smoking devices found in household cleaning and consumer products. Additionally, it is associated with electrical and electronic equipment, specifically antennas, radio transmission systems, and electrically stimulated smoking devices. The recorded exposure route for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₉N₅O₂

Average Molecular Mass

359.474 g/mol

Monoisotopic Mass

359.232 g/mol

CAS Registry Number

83928-76-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1

InChI Identifier

InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3

InChI Key

QOIGKGMMAGJZNZ-UHFFFAOYSA-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 GC-MS	Predicted GC-MS Spectrum	splash10-0m9r-2910000000-65e5547be23e1a515df1	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0119000000-de7074794efd4bed7c98	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1849000000-2fbcf6a293e322cce6ea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-6910000000-bfc19e3f25371e4a5cbd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0309000000-becf30dc57a0817caa68	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-0905000000-8b3c2cc81a46dd57ada9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-4910000000-4b1ae201d3a504fb083c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0029000000-93ace071bda0a59752df	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0093000000-fd70a466fd2ca6d9fac7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00xr-1951000000-fb0dd0ddc57a7ac690eb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0009000000-4cc5c8ea4f5e4a9dbb3b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0019000000-a60c434ce652cfe0ddbe	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-090c-6921000000-af88b3e11a357b1edacc	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
395.0 Log mg/kg [220:700]	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
CEDs000377	Antidepressants?Antidepressants, a class of synthetic chemicals designed to alleviate symptoms of depression and anxiety, can enter the environment through various pathways, leading to contamination of water systems.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	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
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.532 Applicability Domain 0.733 Statistical Significance 0.0053 Supporting Reference Compounds 1103 E-value 41.2601
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.532 Applicability Domain 0.733 Statistical Significance 0.0045 Supporting Reference Compounds 953 E-value 34.9543
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.517 Applicability Domain 0.733 Statistical Significance 0.0038 Supporting Reference Compounds 541 E-value 29.3492
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.506 Applicability Domain 0.733 Statistical Significance 0.0048 Supporting Reference Compounds 861 E-value 37.0562
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.499 Applicability Domain 0.733 Statistical Significance 0.0052 Supporting Reference Compounds 528 E-value 40.4037
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.495 Applicability Domain 0.733 Statistical Significance 0.0032 Supporting Reference Compounds 565 E-value 24.6004
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.495 Applicability Domain 0.733 Statistical Significance 0.0053 Supporting Reference Compounds 955 E-value 41.5715
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.479 Applicability Domain 0.733 Statistical Significance 0.0047 Supporting Reference Compounds 823 E-value 36.4334
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.475 Applicability Domain 0.733 Statistical Significance 0.0017 Supporting Reference Compounds 185 E-value 13.3122
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.47 Applicability Domain 0.733 Statistical Significance 0.0031 Supporting Reference Compounds 376 E-value 24.5225
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.465 Applicability Domain 0.733 Statistical Significance 0.0036 Supporting Reference Compounds 380 E-value 28.1814
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.56 Statistical Significance 0.0052 Supporting Reference Compounds 524 E-value 40.5594
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.461 Applicability Domain 0.733 Statistical Significance 0.0018 Supporting Reference Compounds 258 E-value 14.0129
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.434 Applicability Domain 0.733 Statistical Significance 0.0029 Supporting Reference Compounds 208 E-value 22.8877
Click to view 3D structure	D(4) dopamine receptor	P30729	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.43 Applicability Domain 0.451 Statistical Significance 0.0013 Supporting Reference Compounds 92 E-value 10.3539
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 0.733 Statistical Significance 0.0079 Supporting Reference Compounds 562 E-value 61.8123
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.733 Statistical Significance 0.0023 Supporting Reference Compounds 207 E-value 17.8275
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.414 Applicability Domain 0.733 Statistical Significance 0.0067 Supporting Reference Compounds 686 E-value 52.159
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.413 Applicability Domain 0.733 Statistical Significance 0.0025 Supporting Reference Compounds 154 E-value 19.7737
Click to view 3D structure	5-hydroxytryptamine receptor 2A	Q75Z89	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.409 Applicability Domain 0.733 Statistical Significance 2.70e-04 Supporting Reference Compounds 35 E-value 2.10193
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.395 Applicability Domain 0.733 Statistical Significance 0.0067 Supporting Reference Compounds 297 E-value 52.0811
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.393 Applicability Domain 0.733 Statistical Significance 0.0028 Supporting Reference Compounds 228 E-value 21.4864
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.733 Statistical Significance 0.0333 Supporting Reference Compounds 1498 E-value 258.927
Click to view 3D structure	Alpha-2A adrenergic receptor	Q28838	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.389 Applicability Domain 0.733 Statistical Significance 3.70e-04 Supporting Reference Compounds 32 E-value 2.88042
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.473 Statistical Significance 0.0062 Supporting Reference Compounds 298 E-value 48.1887