Mabuterol (CED0022483)

Record Information

Version

1.0

Creation Date

2026-03-25 19:11:27 UTC

Update Date

2026-08-19 01:17:01 UTC

Accession Number

CHEM055823

Identification

Common Name

Mabuterol

Class

Small Molecule

Description

Mabuterol is an organic compound with the formula C13H18Cl1F3N2O1 and an average molecular weight of 310.75 g/mol. Mabuterol belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance is found in or released from two recorded sources: healthcare, pharmaceuticals & veterinary products (antibiotics) and electrical & electronic equipment (electrically stimulated smoking devices). Recorded exposure routes for this compound include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₈Cl₁F₃N₂O₁

Average Molecular Mass

310.750 g/mol

Monoisotopic Mass

310.106 g/mol

CAS Registry Number

56341-08-3;56707-24-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F

InChI Identifier

InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3

InChI Key

JSJCTEKTBOKRST-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	splash10-00dr-9080000000-8dbe9119fdf909193380	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0f89-0930000000-6e03a03bf7b1e2ebee19	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0f89-0930000000-84bcbd70b3e4bbf061a5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0uyi-0490000000-2b16f4dfddddff15b881	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-0090000000-b0b3a663a4032594474d	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0f89-0930000000-78d492e2eb012e6e8d6a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01p9-0093000000-ffb944dbe087dcc04d8e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0090000000-066d8bd5fbf8f8802543	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9350000000-ef08151fd6c54bfde9f0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0019000000-517a9b14360f1aba3ef9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1059000000-20dca43cf18735fe7060	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-9210000000-8cb51e16746219429a10	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
243.0	Log mg/kg	[140:430]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	1.40129
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	13.3901
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	5.99439
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	16.9711
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	257.603
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1224.72
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	21.4085
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	30.0498
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	1119.55
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	1291.21
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	1108.34
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 42	Q7RTR8	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 41	P59536	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 7	Q9NYW3	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 30	P59541	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 60	P59551	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 19	P59542	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 20	P59543	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 1	Q9NYW7	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 40	P59535	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 3	Q9NYW6	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 13	Q9NYV9	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	Taste receptor type 2 member 39	P59534	Humans	Predicted (SEA)	8.71911