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Cirazoline hydrochloride

CAT: 0024-sc-203550Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203550Size:10 mg
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CAS Number
40600-13-3

Chemical Information

Cirazoline hydrochloride
CAS Number40600-13-3
PubChem CID11957512
IUPAC Name2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Molecular FormulaC13H17ClN2O
Molecular Weight252.74
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
C1CC1C2=CC=CC=C2OCC3=NCCN3.Cl
InChI
InChI=1S/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H
InChIKey
XFRXWLWUUDJHPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cirazoline hydrochloride
CAS: 40600-13-3
CID: 11957512
Formula: C13H17ClN2O
MW: 252.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass252.1029409
Monoisotopic Mass252.1029409
Topological Polar Surface Area33.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
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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