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Isoxsuprine (hydrochloride)

CAT: 0607-C3347-10000Size: 10 gDry Ice: NoHazardous: No
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CAT#:0607-C3347-10000Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
β-adrenergic receptor modulator
CAS Number
579-56-6
Product Name Alternative
4-hydroxy-α-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-benzenemethanol, monohydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Solubility
insoluble in H2O; insoluble in EtOH; ≥16.3 mg/mL in DMSO
Smiles
OC1=CC=C(C(O)C(C)NC(C)COC2=CC=CC=C2)C=C1.Cl
Molecular Formula
C18H23NO3·HCl
Molecular Weight
337.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Isoxsuprine Hydrochloride

Isoxsuprine hydrochloride is an alkylbenzene.

CAS Number579-56-6
PubChem CID11368
IUPAC Name4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride
Molecular FormulaC18H24ClNO3
Molecular Weight337.8
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity299
SMILES
CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
InChI
InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H
InChIKey
QVPSGVSNYPRFAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoxsuprine Hydrochloride
CAS: 579-56-6
CID: 11368
Formula: C18H24ClNO3
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass337.1444713
Monoisotopic Mass337.1444713
Topological Polar Surface Area61.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3605126-01Isoxsuprine hydrochloride
TRC-I918152-100MGIsoxsuprine-d5 Hydrochloride
HY-B1270S-01Isoxsuprine-d6 (hydrochloride)
HY-B1270R-01Isoxsuprine hydrochloride (Standard)
HY-146968S-01Alloerythro-Isoxsuprine-13C6 (hydrochloride)
TRC-K606400-100MGKeto-Isoxsuprine Hydrochloride Salt
TRC-I918151-1MGIsoxsuprine-d6 Hydrochloride (3-phenoxy-2-propyl-1,1,1,2,3,3,3-d6-amine) (mixture of disastereomers)
AR-I01923-01Isoxsuprine

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