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Clemizole Hydrochloride

CAT: 0572-TRC-C559740-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C559740-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1163-36-6
Synonyms
1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-, hydrochloride (1:1); 1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-, monohydrochloride (9CI); Benzimidazole, 1-(p-chlorobenzyl)-2-(1-pyrrolidinylmethyl)-, monohydrochloride (8CI); 1-(4-Chlorobenzyl)-2-(pyrrolidinylmethyl)-1,3-benzimidazole hydrochloride; 1-p-Chlorobenzyl-2-(1-pyrrolidinylmethyl)benzimidazole hydrochloride; 1-p-Chlorobenzyl-2-pyrrolidylmethyl benzimidazole hydrochloride; AL 20; Allercur; Clemizole hydrochloride; Histacuran; Klemidox; Reactrol; Clemizole Hydrochloride
Hazard Statement
No Data Available; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1
Molecular Formula
C19 H20 Cl N3 . Cl H
Molecular Weight
362.3
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
Additionnal Information
IUPAC name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Clemizole Hydrochloride

Clemizole hydrochloride is a member of benzimidazoles.

CAS Number1163-36-6
PubChem CID5309446
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride
Molecular FormulaC19H21Cl2N3
Molecular Weight362.3
Topological Polar Surface Area21.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity377
SMILES
C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl
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
Chemical Structure
2D Structure
2D structure of Clemizole Hydrochloride
CAS: 1163-36-6
CID: 5309446
Formula: C19H21Cl2N3
MW: 362.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass361.1112531
Monoisotopic Mass361.1112531
Topological Polar Surface Area21.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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444852-01Clemizole Hydrochloride
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