Deterenol Hydrochloride - ≥98% , CAS No.23239-36-3

CAS: 23239-36-3 Cat. No.: D332770 Molecular Weight: 231.72

GRADE & PURITY ≥98%

Synonyms

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol hydrochloride | Q27288055 | 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol hydrochloride | NSC-56816 | D03700 | Deterenol HCl | B2694-469973 | BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Deterenol Hydrochloride is an effective, nonmydriatic and nonmiotic hypotensive agent with intraocular pressure effects.

Application

An effective, nonmydriatic and nonmiotic hypotensive agent with intraocular pressure (IOP) effects similar to epinephrine bitartrate in rhesus monkeys when administered at approx. twice the concentration of epinephrine used clinically.

Specifications

Synonyms

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol hydrochloride | Q27288055 | 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol hydrochloride | NSC-56816 | D03700 | Deterenol HCl | B2694-469973 | BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757624
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757624
• Canonical Smiles: CC(C)NCC(C1=CC=C(C=C1)O)O.Cl
• IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol;hydrochloride
• InChIKey: KTOGVIILDSYTNS-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO2.ClH/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9;/h3-6,8,11-14H,7H2,1-2H3;1H
• Isomeric SMILES: CC(C)NCC(C1=CC=C(C=C1)O)O.Cl
• Molecular Weight: 231.72
• Reaxy-Rn: 3717968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717968&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Aromatic alcohol - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• External Descriptors: Not available

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)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly)
• Sensitivity: Hygroscopic
• Refractive Index: n20D1.55 (Predicted)
• Melt Point(°C): 160-161° C
• Molecular Weight: 231.720 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 231.103 Da
• Monoisotopic Mass: 231.103 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 153.000
• 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

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