Carteolol (CED0008498)

Record Information

Version

1.0

Creation Date

2016-05-25 18:21:00 UTC

Update Date

2026-08-19 17:12:56 UTC

Accession Number

CHEM022127

Identification

Common Name

Carteolol

Class

Small Molecule

Description

Carteolol is an organic compound with the formula C16H24N2O3 and an average molecular weight of 292.37 g/mol. Carteolol belongs to the hydroquinolines, a subclass of quinolines and derivatives within the organic compounds. This compound is associated with nine recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in beta blocking agents as well as miotics and antiglaucoma preparations. It is also identified in household cleaning and consumer products, specifically tobacco smoke filters and perfumes within soaps and detergents. Additionally, it is recorded in electrical and electronic equipment, including electrodes, radio transmission systems, electrically stimulated smoking devices, conductors or conductive bodies characterized by the conductive materials, and antennas. The recorded exposure route for this substance is ophthalmic. At the molecular level, carteolol interacts with two recorded protein targets. It acts as an antagonist/antagonist and a partial agonist of both the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Carteololum	ChEBI
Hydrochloride, carteolol	HMDB
Carteolol monohydrochloride	HMDB
Carteolol hydrochloride	HMDB
Monohydrochloride, carteolol	HMDB

Chemical Formula

C₁₆H₂₄N₂O₃

Average Molecular Mass

292.373 g/mol

Monoisotopic Mass

292.179 g/mol

CAS Registry Number

51781-06-7

IUPAC Name

5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one

Traditional Name

carteolol

SMILES

CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2

InChI Identifier

InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)

InChI Key

LWAFSWPYPHEXKX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Hydroquinolines

Direct Parent

Hydroquinolines

Alternative Parents

Substituents

Dihydroquinoline
Alkyl aryl ether
Benzenoid
Cyclic carboximidic acid
1,2-aminoalcohol
Secondary alcohol
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Ether
Secondary aliphatic amine
Azacycle
Organopnictogen compound
Alcohol
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

secondary alcohol (CHEBI:3437 )
quinolone (CHEBI:3437 )

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

Property	Value	Source
Water Solubility	0.42 g/L	ALOGPS
logP	1.05	ALOGPS
logP	1.42	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	13.41	ChemAxon
pKa (Strongest Basic)	9.76	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	70.59 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	83.14 m³·mol⁻¹	ChemAxon
Polarizability	32.79 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-06z0-9740000000-0b5ab7905026b4d1b8e0	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-00ei-9174000000-c2dec5c3c1c4cd91a590	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	splash10-0006-1290000000-146882f3ae5a571c8d6d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-6690000000-936db670e7e2bee8b057	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ds-9700000000-7905914cd5a5de3da04f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-1690000000-609050e71156510420f0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-1900000000-c56c1b1cc8e1ca5d10b6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-6900000000-b28a89fc1f36ea843425	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0090000000-75cd5cfb725bb644735f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02bu-2390000000-1f80e682ad20e7f3f9f7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9400000000-a3900f5b32740668f257	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0390000000-423a88b9dbb47af0573e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1910000000-a9e99c1ea5d66cae1865	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dm-1900000000-8e73f5d27804e3688cd3	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
1045.0	Log mg/kg	[590:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
293	Beta blocking agents	Healthcare, pharmaceuticals & veterinary products	Not Available
398	Antiglaucoma preparations and miotics	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

5 pathways

Carteolol Action Pathway

Carteolol B2-Adrenergic Ciliary Muscle Contraction Action Pathway

Carteolol B1-Adrenergic Ciliary Muscle Contraction Action Pathway

Carteolol Drug Metabolism Action Pathway

Carteolol Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	11.5217
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	10.9767
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	59.7104
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	8.71911
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	89.6823
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	83.143
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	4.98235
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	8.56341
Click to view 3D structure	Extracellular calcium-sensing receptor	P41180	Humans	Predicted (SEA)	2.56902
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	186.215
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	389.013
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	88.281
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	79.7954
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	6.85073
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	222.804
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	143.865
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	266.634
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	53.171
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	223.194
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	157.411
Click to view 3D structure	Extracellular calcium-sensing receptor	P35384	Bos taurus	Predicted (SEA)	1.86838
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	117.864
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	439.225
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	171.969
Click to view 3D structure	Beta-2 adrenergic receptor	Q28044	Bos taurus	Predicted (SEA)	4.35956