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Clemizole hydrochloride - 98% (HPLC), high purity , CAS No.1163-36-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1163-36-6
Molecular Weight: 362.3
MDL number: MFCD00051435
PubChem CID: 5309446
PubChem SID: 504763530

In stock

Item Number

C166171

Grouped product items
SKU	Size	Availability	Price
C166171-5mg	5mg	3	$48.90
C166171-10mg	10mg	3	$78.90
C166171-25mg	25mg	3	$177.90
C166171-50mg	50mg	3	$296.90
C166171-100mg	100mg	2	$474.90
C166171-250mg	250mg	2	$1,068.90
C166171-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,923.90

View related series

Amino Acid/Protein Metabolism (1836) Anti-infection (2803) Class A GPCR (4138) GPCR/G Protein (3172) HCV (160) HCV Protease (26) Histamine Receptor (191) Histamine receptor antagonists (29) Immunology/Inflammation (1929) Ion channel (2197) Membrane Transporter/Ion Channel (1822) Metabolic Enzyme/Protease (4860) Neuronal Signaling (3320) TRP Channel (181) Virus (1811)

Synonyms	1-p-Chlorobenzyl-2-(1-pyrrolidinylmethyl)benzimidazole hydrochloride \| AL 20; AL20; AL-20; Clemizole HCl \| 1-(p-chlorobenzyl)-2-(1-pyrrolidinylmethyl)-benzimidazolmonohydrochloride \| AC-35229 \| Reactrol \| AL 20 \| D01705 \| EU-0100284 \| NSC 759290 \| SMR0000
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Clemizole is an antihistamine and an inhibitor of NS4B (nonstructural protein 4B) RNA of HCV (hepatitis C virus). Studies in Scn1α (sodium channel, voltage-gated, type I, α) Zebrafish mutant show that this drug has the potential as a therapeutic agent in
Storage Temp	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.

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Chlorobenzenes Aralkylamines N-substituted imidazoles N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors	Not available
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

Pubchem Sid	504763530
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763530
IUPAC Name	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
INCHI	InChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
InChIKey	DNFMJYXRIMLMBZ-UHFFFAOYSA-N
Smiles	C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl
Isomeric SMILES	C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl
RTECS	DD6730000
PubChem CID	5309446
Molecular Weight	362.3

Lot Number	Certificate Type	Date	Item
C2215046	Certificate of Analysis	Dec 10, 2024	C166171
C2215059	Certificate of Analysis	Dec 10, 2024	C166171
C2215060	Certificate of Analysis	Dec 10, 2024	C166171
C2215534	Certificate of Analysis	Dec 10, 2024	C166171
C2215520	Certificate of Analysis	Dec 10, 2024	C166171
C2215535	Certificate of Analysis	Dec 10, 2024	C166171
C2215537	Certificate of Analysis	Dec 10, 2024	C166171

Solubility	H2O: 2 mg/mL, clear (warmed)，≥15.13 mg/mL in EtOH with gentle warming and ultrasonic; ≥18.12 mg/mL in DMSO; ≥5.12 mg/mL in H2O with gentle warming and ultrasonic
Sensitivity	heat & air sensitive
Melt Point(°C)	241 °C
Molecular Weight	362.300 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	361.111 Da
Monoisotopic Mass	361.111 Da
Topological Polar Surface Area	21.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	377.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Clemizole hydrochloride - 98% (HPLC), high purity , CAS No.1163-36-6

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