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Antiallergic agent-3

CAT: 0804-HY-106924A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106924A-01Size:1 mg
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Description
Antiallergic agent-3 is a derivative of 2- (benzimidazol-2-yl) -1,3-diaminopropane with antiallergic activity[1].
CAS Number
160665-99-6
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/antiallergic-agent-3.html
Smiles
CN(C)CCC1=NC2=C(N1CCOCC)C=CC=C2.Cl.Cl
Molecular Formula
C15H25Cl2N3O
Molecular Weight
334.28
References & Citations
[1]Mantovanini et al, Pharmacologically active derivatives of 2- (benzimidazol-2-yl) -1,3-diaminopropane, European Patent Organization, EP0630889A1, 1994-12-28.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

2-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)-N,N-dimethylethan-1-amine dihydrochloride
CAS Number160665-99-6
PubChem CID9905703
IUPAC Name2-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylethanamine;dihydrochloride
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.3
Topological Polar Surface Area30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity260
SMILES
CCOCCN1C2=CC=CC=C2N=C1CCN(C)C.Cl.Cl
InChI
InChI=1S/C15H23N3O.2ClH/c1-4-19-12-11-18-14-8-6-5-7-13(14)16-15(18)9-10-17(2)3;;/h5-8H,4,9-12H2,1-3H3;2*1H
InChIKey
DZQDNBOZCFBAFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)-N,N-dimethylethan-1-amine dihydrochloride
CAS: 160665-99-6
CID: 9905703
Formula: C15H25Cl2N3O
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass333.1374678
Monoisotopic Mass333.1374678
Topological Polar Surface Area30.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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