Betrixaban (CED0008652)

Record Information

Version

1.0

Creation Date

2026-04-05 13:15:09 UTC

Update Date

2026-08-21 23:55:38 UTC

SynCED ID

CED0008652

Secondary Accession Numbers

CHEM102495

Identification

Common Name

Betrixaban

Class

Small Molecule

Description

Betrixaban is an organic compound with the formula C23H22ClN5O3 and an average molecular weight of 451.91 g/mol. Betrixaban belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is utilized as an antithrombotic agent within healthcare, pharmaceuticals, and veterinary products, with oral administration as the recorded route of exposure. Mechanistically, the compound acts as an inhibitor of the protein target coagulation factor X (F10).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₂ClN₅O₃

Average Molecular Mass

451.910 g/mol

Monoisotopic Mass

451.141 g/mol

CAS Registry Number

330942-05-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=CC(C(O)=NC2=NC=C(Cl)C=C2)=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C=C1

InChI Identifier

InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)

InChI Key

XHOLNRLADUSQLD-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	splash10-003r-5932400000-ca5b1912053bbf68c00d	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	splash10-0udi-0100900000-218f1daf9d063f6d2e2b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0uk9-0323900000-32aea0536ac5ddc2ebdb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-003s-2960000000-a4b2967bfc83276710ed	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0100900000-39e339edbbcfefb03738	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udj-0452900000-4e3df4d92ccfff23f62c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-1970000000-2e9a60fbeb6b30196fcf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0401900000-5ccfa6d71af9e478f947	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0umi-1514900000-d090492326511f0aa1a2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0729-0903100000-037381f459df9435d27a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0220900000-df8761af4bfce4c17f85	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-3391300000-72f4281b0be39495d928	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-7933100000-c54c123dd03837614d3a	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1644.0 Log mg/kg [920:2900]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000273	Antithrombotic agents?Antithrombotic agents are synthetic chemicals designed to prevent blood clot formation, commonly used in the treatment and management of cardiovascular diseases.	Healthcare, pharmaceuticals & veterinary products	Not Available
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	Not Available
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	Not Available
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	Not Available
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	Not Available
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	Not Available

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	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.43 Applicability Domain 0.597 Statistical Significance 0.0049 Supporting Reference Compounds 284 E-value 38.224
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.377 Applicability Domain 0.597 Statistical Significance 0.0122 Supporting Reference Compounds 331 E-value 94.6646
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.597 Statistical Significance 0.0555 Supporting Reference Compounds 1498 E-value 432.297
Click to view 3D structure	Tissue-type plasminogen activator	P00750	Humans	Predicted (SEA)	Prediction Confidence Score 0.355 Applicability Domain 0.597 Statistical Significance 0.0037 Supporting Reference Compounds 120 E-value 28.7264
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.597 Statistical Significance 0.0234 Supporting Reference Compounds 195 E-value 182.401
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.333 Statistical Significance 0.0887 Supporting Reference Compounds 967 E-value 690.678
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.333 Statistical Significance 0.0767 Supporting Reference Compounds 807 E-value 596.87
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.333 Statistical Significance 0.0755 Supporting Reference Compounds 742 E-value 588.073
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.319 Statistical Significance 0.008 Supporting Reference Compounds 114 E-value 62.2794
Click to view 3D structure	Sodium-dependent phosphate transporter 2	Q08357	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 0.0032 Supporting Reference Compounds 1 E-value 24.8339
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0784 Supporting Reference Compounds 728 E-value 610.727
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.1154 Supporting Reference Compounds 1157 E-value 898.458
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0785 Supporting Reference Compounds 735 E-value 610.805
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.09 Supporting Reference Compounds 906 E-value 700.799
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.078 Supporting Reference Compounds 733 E-value 607.613
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0836 Supporting Reference Compounds 754 E-value 651.053
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0894 Supporting Reference Compounds 811 E-value 695.738
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.1001 Supporting Reference Compounds 1029 E-value 779.349
Click to view 3D structure	Insulin receptor	P06213	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0821 Supporting Reference Compounds 772 E-value 639.142
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0881 Supporting Reference Compounds 834 E-value 686.007
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0683 Supporting Reference Compounds 681 E-value 531.632
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0816 Supporting Reference Compounds 797 E-value 635.639
Click to view 3D structure	Serine/threonine-protein kinase D2	Q9BZL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0675 Supporting Reference Compounds 604 E-value 525.794
Click to view 3D structure	Mitogen-activated protein kinase 13	O15264	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.0625 Supporting Reference Compounds 558 E-value 486.713
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.333 Statistical Significance 0.1034 Supporting Reference Compounds 1017 E-value 804.727