Triptorelin (CED0004526)

Record Information

Version

1.0

Creation Date

2026-03-26 19:40:59 UTC

Update Date

2026-05-14 18:26:20 UTC

SynCED ID

CED0004526

Secondary Accession Numbers

CHEM056221

Identification

Common Name

Triptorelin

Class

Small Molecule

Description

Triptorelin is a compound with the chemical formula C64H82N18O13. Triptorelin belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 1,311 g/mol, Triptorelin is a heavy molecule. As a pharmacological agent, Triptorelin acts as an agonist of the Gonadotropin-releasing hormone receptor (GNRHR). The compound is found in or released from healthcare, pharmaceuticals & veterinary products (specifically hormones and related agents) and electrical & electronic equipment (antennas). Recorded exposure routes for this compound include subcutaneous and intramuscular administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆₄H₈₂N₁₈O₁₃

Average Molecular Mass

1311.473 g/mol

Monoisotopic Mass

1310.631 g/mol

CAS Registry Number

57773-63-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O

InChI Identifier

InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)

InChI Key

VXKHXGOKWPXY-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
0.03 mg/day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.03 mg/day	Rat	NOEL	injection	experimental	Not Available	ECOTOX - EPA ORD
0.03 mg/day	Rat	LOEL	injection	experimental	Not Available	ECOTOX - EPA ORD

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
CEDs000359	Hormones and related agents?Hormones and related agents are biologically active compounds that regulate various physiological processes in living organisms.	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
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	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
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	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
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
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
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	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
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

1 pathwayPathway Source: PathBank

Triptorelin Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Prolactin-releasing peptide	P81277	Humans	Predicted (SEA)	Prediction Confidence Score 0.535 Applicability Domain 0.535 Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 15.0249
Click to view 3D structure	Glucagon-1	O42143	Xenopus laevis	Predicted (SEA)	Prediction Confidence Score 0.519 Applicability Domain 0.519 Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.3186
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.514 Applicability Domain 0.536 Statistical Significance 0.0065 Supporting Reference Compounds 199 E-value 50.3684
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 0.536 Statistical Significance 0.0076 Supporting Reference Compounds 186 E-value 58.9319
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.505 Applicability Domain 0.536 Statistical Significance 0.0093 Supporting Reference Compounds 532 E-value 72.3219
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01726	Humans	Predicted (SEA)	Prediction Confidence Score 0.504 Applicability Domain 0.618 Statistical Significance 0.0026 Supporting Reference Compounds 38 E-value 20.63
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.502 Applicability Domain 0.536 Statistical Significance 0.0103 Supporting Reference Compounds 427 E-value 79.9511
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 0.536 Statistical Significance 0.0096 Supporting Reference Compounds 527 E-value 74.4239
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.525 Statistical Significance 0.0063 Supporting Reference Compounds 164 E-value 49.4343
Click to view 3D structure	Melanocortin receptor 3	P41968	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.618 Statistical Significance 0.0024 Supporting Reference Compounds 45 E-value 18.606
Click to view 3D structure	G-protein coupled receptor Mth	O97148	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.497 Statistical Significance 0.0034 Supporting Reference Compounds 1 E-value 26.6244
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.525 Statistical Significance 0.0089 Supporting Reference Compounds 229 E-value 69.5972
Click to view 3D structure	Melanocortin receptor 4	P32245	Humans	Predicted (SEA)	Prediction Confidence Score 0.497 Applicability Domain 0.618 Statistical Significance 0.0043 Supporting Reference Compounds 96 E-value 33.3195
Click to view 3D structure	Neuromedin-U receptor 2	Q8BZ39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.493 Applicability Domain 0.493 Statistical Significance 0.0018 Supporting Reference Compounds 1 E-value 14.2464
Click to view 3D structure	Neuropeptide FF receptor 2	Q9Y5X5	Humans	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.523 Statistical Significance 0.0037 Supporting Reference Compounds 25 E-value 29.0378
Click to view 3D structure	Melanocortin receptor 3	P33033	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.618 Statistical Significance 0.0022 Supporting Reference Compounds 23 E-value 16.8154
Click to view 3D structure	Melanocortin receptor 4	P56450	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.618 Statistical Significance 0.0028 Supporting Reference Compounds 34 E-value 21.6421
Click to view 3D structure	Melanocortin receptor 5	P41149	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.618 Statistical Significance 0.0028 Supporting Reference Compounds 29 E-value 21.8756
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.49 Applicability Domain 0.536 Statistical Significance 0.0086 Supporting Reference Compounds 166 E-value 67.3396
Click to view 3D structure	Melanocyte-stimulating hormone receptor	Q01727	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.49 Applicability Domain 0.618 Statistical Significance 0.0032 Supporting Reference Compounds 31 E-value 24.6782
Click to view 3D structure	Melanocortin receptor 5	P33032	Humans	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 0.618 Statistical Significance 0.0029 Supporting Reference Compounds 48 E-value 22.6541
Click to view 3D structure	Dickkopf WNT-signaling pathway inhibitor 1	A6I0Z0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 0.489 Statistical Significance 0.0045 Supporting Reference Compounds 1 E-value 35.0322
Click to view 3D structure	Neuropeptide FF receptor 1	Q9GZQ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.485 Applicability Domain 0.523 Statistical Significance 0.0031 Supporting Reference Compounds 21 E-value 23.8997
Click to view 3D structure	Substance-P receptor	P25103	Humans	Predicted (SEA)	Prediction Confidence Score 0.477 Applicability Domain 0.486 Statistical Significance 0.0028 Supporting Reference Compounds 122 E-value 21.7978
Click to view 3D structure	Adapter molecule crk	P46108	Humans	Predicted (SEA)	Prediction Confidence Score 0.475 Applicability Domain 0.475 Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.0434