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Home Other Building Blocks Clemizole hydrochloride

Clemizole hydrochloride

CAS No.:
1163-36-6
Catalog Number:
AG000C5Q
Molecular Formula:
C19H21Cl2N3
Molecular Weight:
362.2961
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$168
- +
50mg
99%
1 week
United States
$473
- +
100mg
99%
1 week
United States
$723
- +
Product Description
Catalog Number:
AG000C5Q
Chemical Name:
Clemizole hydrochloride
CAS Number:
1163-36-6
Molecular Formula:
C19H21Cl2N3
Molecular Weight:
362.2961
MDL Number:
MFCD00051435
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
InChI Key:
DNFMJYXRIMLMBZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2.Cl
EC Number:
214-605-4
UNII:
85W6I13D8M
NSC Number:
759290
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
362.298g/mol
Monoisotopic Mass:
361.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Effect of oral administration of various beta-blocking agents on the intraocular pressure in healthy volunteers. Experimental eye research 19751101
Properties