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Benclonidine

CAT: 0013-GTR19154236-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154236-01Size:100 mg
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Description
Benclonidine is an Antihypertonic agent.
CAS Number
57647-79-7
Purity
>98%
Smiles
C1=CC=C (C=C1) C (=O) N2C (=NCC2) NC3=C (Cl) C=CC=C3Cl
Molecular Formula
C16H13N3OCL2
Molecular Weight
334.19992
Notes
For research use only.

Chemical Information

Benclonidine

Benclonidine is a small molecule drug. The usage of the INN stem '-nidine' in the name indicates that Benclonidine is a a2 adrenoreceptor agonist. Benclonidine has a monoisotopic molecular weight of 333.04 Da.

CAS Number57647-79-7
PubChem CID68774
IUPAC Name[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-phenylmethanone
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.2
XLogP4
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity427
SMILES
C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13Cl2N3O/c17-12-7-4-8-13(18)14(12)20-16-19-9-10-21(16)15(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKey
YHEMKMZUJKPOCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benclonidine
CAS: 57647-79-7
CID: 68774
Formula: C16H13Cl2N3O
MW: 334.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass333.0435674
Monoisotopic Mass333.0435674
Topological Polar Surface Area44.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
330545Benclonidine

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