GRADE & PURITY 10mM in DMSO

Synonyms

carteolol hydrochloride|51781-21-6|Carteolol HCl|Arteoptic|Cartrol|Mikelan|Abbott-43326|Ocupress|Endak hydrochloride|Endak|Carbonolol|Endak mite|Abbott 43326|OPC-1085|Carteolol (hydrochloride)|OPC-1085 hydrochloride|EINECS 257-415-7|NSC 300906|NSC-300906|

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Carteolol Hydrochloride is a β-Adrenergic blocker which exhibits antihypertensive, antianginal, antiarrhythmic and antiglaucoma properties.

Specifications

Synonyms

carteolol hydrochloride | 51781-21-6 | Carteolol HCl | Arteoptic | Cartrol | Mikelan | Abbott-43326 | Ocupress | Endak hydrochloride | Endak | Carbonolol | Endak mite | Abbott 43326 | OPC-1085 | Carteolol (hydrochloride) | OPC-1085 hydrochloride | EINECS 257-415-7 | NSC 300906 | NSC-300906 |

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Adrenergic receptor beta antagonist

Names and Identifiers

• Canonical Smiles: CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl
• IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
• InChIKey: FYBXRCFPOTXTJF-UHFFFAOYSA-N
• INCHI: 1S/C16H24N2O3.ClH/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);1H
• Isomeric SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl
• Alternate CAS: 51781-06-7
• Molecular Weight: 328.83
• Reaxy-Rn: 5784965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5784965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Alkyl aryl ethers Benzenoids Secondary carboxylic acid amides Secondary alcohols Lactams Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Alkyl aryl ether - Benzenoid - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrochloride - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 269-272° C
• Molecular Weight: 328.830 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.155 Da
• Monoisotopic Mass: 328.155 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3