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Isoxsuprine Hydrochloride

CAT: 0572-TRC-I918150-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I918150-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
579-56-6
Synonyms
Isoxsuprine Hydrochloride; (1RS,2SR)-1-(4-Hydroxyphenyl)-2-[[(1SR)-1-methyl-2-phenoxyethyl]amino]propan-1-ol hydrochloride; Norephedrine, p-hydroxy-N-(1-methyl-2-phenoxyethyl)-, hydrochloride (6CI); 1-(p-Hydroxyphenyl)-2-(1'-methyl-2'-phenoxy)ethylaminopropanol-1 hydrochloride; Dilavase; Divadilan; Duvadilan; Duviculine; Isolait; Isoxsuprin hydrochloride; Navilox; Suprilent; Suprox SR; Tidilan; Vadosilan; Vasodilan; Vasoplex; Vasotran; Benzenemethanol, 4-hydroxy-alpha-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (1:1); Benzenemethanol, 4-hydroxy-alpha-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (9CI); Benzyl alcohol, p-hydroxy-alpha-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-, hydrochloride (8CI)
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.C[C@@H](COc1ccccc1)N[C@@H](C)[C@H](O)c2ccc(O)cc2
Molecular Formula
C18 H23 N O3 . Cl H
Molecular Weight
337.84
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/t13-,14-,18-;/m0./s1
Additionnal Information
IUPAC name: 4-[(1R,2S)-1-hydroxy-2-[[(2S)-1-phenoxypropan-2-yl]amino]propyl]phenol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°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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