Propranolol hydrochloride - ≥98% , CAS No.3506-09-0

CAS: 3506-09-0 Cat. No.: P303508 Molecular Weight: 295.81 EC Number: 222-501-5

GRADE & PURITY ≥98%

Synonyms

Noloten | Dibudinate | Panolol | Propral | Pur-Bloka | Sloprolol | Dumopranol | Hemipralon | Herzbase | Propabloc | InnoPran XL | Tesnol | Procor | Prosin | Sawatol | Anaprilin | Angilol | Kidoral | Sinal | Pylapron | Sudenol | DTXSID3021198 | Obsidan | P

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Propranolol hydrochloride is a nonselective and BBB-permeableβ-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy；

Specifications

Synonyms

Noloten | Dibudinate | Panolol | Propral | Pur-Bloka | Sloprolol | Dumopranol | Hemipralon | Herzbase | Propabloc | InnoPran XL | Tesnol | Procor | Prosin | Sawatol | Anaprilin | Angilol | Kidoral | Sinal | Pylapron | Sudenol | DTXSID3021198 | Obsidan | P

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
• IUPAC Name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
• InChIKey: ZMRUPTIKESYGQW-UHFFFAOYSA-N
• INCHI: 1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
• Isomeric SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
• Alternate CAS: 318-98-9
• Molecular Weight: 295.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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Homo sapiens (32628 Activities)

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U2OS (164939 Activities)

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Lymphoblastoid cell (5959 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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Skin (286 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Cavia porcellus (23802 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 295.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 295.134 Da
• Monoisotopic Mass: 295.134 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 257.000
• 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

References

1. Hengye Li, Xingwei Han, Lin Zhang, Wenjie Yu, Wenwen Bie, Meijie Wei, Zhongxia Wang, Fenying Kong, Wei Wang.  (2023)  Sulfonated polyhedral oligomeric silsesquioxane-cyclodextrin hybrid polymers for efficient removal of micropollutants from water.  CARBOHYDRATE POLYMERS,      [PMID:37059548] [10.1016/j.carbpol.2023.120832]

2. Haibo You, Ben Chen, Liqun Fang, Tingting Lin, Ping Xu, Chu Chu, Shengqiang Tong.  (2022)  Analytical enantioseparation of N-alkyl drugs by reversed-phase liquid chromatography with carboxymethyl-β-cyclodextrin as mobile phase additive.  CHIRALITY,  35  (1): (58-66).  [PMID:36345792] [10.1002/chir.23516]

3. Xin Liu, Peng Xu, Shiqi Xie, Lei Wang, Zhuoyu Yang, Pengfei Zhu, Jingwei Ma, Qiulai He, John C. Crittenden.  (2022)  Multiple reinforcement of chloride ion on oxidizing acetaminophen with zero-valent copper particles: In-site formation and catalysis of hydrogen peroxide.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.138689]

4. Xin Liu, Peng Xu, Zhuoyu Yang, Pengfei Zhu, Lei Wang, Shiqi Xie.  (2022)  Catalytic oxidation of 4-acetamidophenol with Fe3+-enhanced Cu0 particles: In-site generation and activation of hydrogen peroxide.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35739796] [10.1016/j.jhazmat.2022.129291]

5. Jia Wen, Xiuge Gao, Qian Zhang, Benazir Sahito, Hongbin Si, Gonghe Li, Qi Ding, Wenda Wu, Eugenie Nepovimova, Shanxiang Jiang, Liping Wang, Kamil Kuca, Dawei Guo.  (2021)  Optimization of Tilmicosin-Loaded Nanostructured Lipid Carriers Using Orthogonal Design for Overcoming Oral Administration Obstacle.  Pharmaceutics,  13  (3): (303).  [PMID:33669090] [10.3390/pharmaceutics13030303]

6. Yiqun Chen, Yang Tong, Yingwen Xue, Zizheng Liu, Min Tang, Li-Zhi Huang, Senlin Shao, Zheng Fang.  (2019)  Degradation of the β-blocker propranolol by sulfite activation using FeS.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.123884]

7. Hui Xu, Zijie Feng, Yingxiang Du.  (2019)  Synthesis, application and molecular modeling study of ionic liquid functionalized lactobionic acid, 3-methyl-1-(3-sulfopropyl)-1H-imidazol-3-ium lactobionate, as a chiral selector in capillary electrophoresis.  ANALYST,  145  (3): (1025-1032).  [PMID:31832629] [10.1039/C9AN02009H]

8. Qian Zhang, Haifeng Yang, Benazir Sahito, Xinyu Li, Lin Peng, Xiuge Gao, Hui Ji, Liping Wang, Shanxiang Jiang, Dawei Guo.  (2019)  Nanostructured lipid carriers with exceptional gastrointestinal stability and inhibition of P-gp efflux for improved oral delivery of tilmicosin.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:31767412] [10.1016/j.colsurfb.2019.110649]

9. Yuehua Deng, Yani Li, Wenjie Nie, Xiang Gao, Shentan Liu, Xiaochun Tan, Mingming Chen, Dongzhuang Hou.  (2019)  New Insights into the Interaction between Graphene Oxide and Beta-Blockers.  Nanomaterials,  9  (10): (1429).  [PMID:31600918] [10.3390/nano9101429]

10. Kaixue Zhang, Guoqing Luan, Jin Zhang, Shilong Wang, Min Jiang, Gang Bai.  (2025)  Ligustilide covalently binds to Cys254 of the creatine kinase, M-type protein, ameliorating acute myocardial ischemia by enhancing the creatine phosphate level.  PHYTOMEDICINE,      [PMID:40007343] [10.1016/j.phymed.2025.156532]

11. Jialin Yu, Hao Zhang, Meiyao Li, Shanshan Chen, Wei Shi.  (2026)  6-Hydroxydopamine promotes antitumor immunity through macrophage remodeling beyond sympathetic ablation.  NEURON,      [PMID:41856110] [10.1016/j.neuron.2026.02.028]