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(E) -Alprenoxime

CAT: 0931-T10001-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10001-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125720-84-5
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
(E) -Alprenoxime, the isomer of Alprenoxime, is a site-activated ocular β-blocker.
Smiles
O(C/C(/CNC(C)C)=N/O)C1=C(CC=C)C=CC=C1
Molecular Formula
C15H22N2O2
Molecular Weight
262.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alprenoxime

structure given in first source; an antiglaucoma drug; the ketoxime precursor of alprenolol

CAS Number125720-84-5
PubChem CID5489436
IUPAC Name(NE)-N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine
Molecular FormulaC15H22N2O2
Molecular Weight262.35
XLogP3.4
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity290
SMILES
CC(C)NC/C(=N\O)/COC1=CC=CC=C1CC=C
InChI
InChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3/b17-14+
InChIKey
XFQFSSGNEFUEPA-SAPNQHFASA-N
Chemical Structure
2D Structure
2D structure of Alprenoxime
CAS: 125720-84-5
CID: 5489436
Formula: C15H22N2O2
MW: 262.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.35
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass262.168127949
Monoisotopic Mass262.168127949
Topological Polar Surface Area53.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS5765834(E)-Alprenoxime
HY-101804(E) -Alprenoxime
A12643-5(E) -Alprenoxime 5mg
A12643-50(E) -Alprenoxime 50mg
A12643-100(E) -Alprenoxime 100mg
A12643-25(E) -Alprenoxime 25mg
A12643-10(E) -Alprenoxime 10mg
A12643-1(E) -Alprenoxime 1mg

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