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Piperoxan hydrochloride

CAT: 0931-T4526-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T4526-01Size:2 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
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9961
Bioactivity
Piperoxan hydrochloride (Benodaine hydrochloride) is an α2 adrenoceptor antagonist. Piperoxan (benodaine) is a drug which was the very first antihistamine to be discovered.
Smiles
Cl.C(C1COc2ccccc2O1)N1CCCCC1
Molecular Formula
C14H20ClNO2
Molecular Weight
269.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
BUP10068-01Piperoxan hydrochloride
HY-100850-01Piperoxan (hydrochloride)
HY-100850RPiperoxan (hydrochloride) (Standard)
A18336-5Piperoxan hydrochloride 5mg
A18336-2Piperoxan hydrochloride 2mg
A18336-100Piperoxan hydrochloride 100mg
A18336-50Piperoxan hydrochloride 50mg
A18336-10Piperoxan hydrochloride 10mg
A18336-200Piperoxan hydrochloride 200mg
A18336-25Piperoxan hydrochloride 25mg

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