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Piperoxan hydrochloride

CAT: 0957-S0116-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S0116-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135-87-5
Synonyms
Benodaine, Fourneau 933, F933, DL-Piperoxan
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
C1CCN (CC1) CC2COC3=CC=CC=C3O2.Cl
Molecular Formula
C14H20ClNO2
Additionnal Information
Piperoxan hydrochloride (Benodaine, Fourneau 933, F933, DL-Piperoxan) is an antagonist of α2 (alpha 2) adrenoceptor.
Storage Conditions
3 years -20°C powder

Chemical Information

Piperoxan Hydrochloride

See also: Piperoxan (has active moiety).

CAS Number135-87-5
PubChem CID101619
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;hydrochloride
Molecular FormulaC14H20ClNO2
Molecular Weight269.77
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity240
SMILES
C1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H
InChIKey
BITRJBQGQMGGQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperoxan Hydrochloride
CAS: 135-87-5
CID: 101619
Formula: C14H20ClNO2
MW: 269.77
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass269.1182566
Monoisotopic Mass269.1182566
Topological Polar Surface Area21.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes