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ZD 7114 hydrochloride

CAT: 0607-B6509-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6509-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
β3-adrenoceptor agonist
CAS Number
129689-28-7
Product Name Alternative
(S)-2-(4-(2-((2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Solubility
<45.49mg/ml in DMSO
Smiles
O[C@H](COC1=CC=CC=C1)CNCCOC(C=C2)=CC=C2OCC(NCCOC)=O.Cl
Molecular Formula
C22H30N2O6·HCl
Molecular Weight
454.95
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

ZD 7114 hydrochloride
CAS Number129689-28-7
PubChem CID9890216
IUPAC Name2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide;hydrochloride
Molecular FormulaC22H31ClN2O6
Molecular Weight454.9
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count31
Formal Charge0
Complexity439
SMILES
COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@@H](COC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C22H30N2O6.ClH/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19;/h2-10,18,23,25H,11-17H2,1H3,(H,24,26);1H/t18-;/m0./s1
InChIKey
KCAMZVQSGDBGGF-FERBBOLQSA-N
Chemical Structure
2D Structure
2D structure of ZD 7114 hydrochloride
CAS: 129689-28-7
CID: 9890216
Formula: C22H31ClN2O6
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass454.1870644
Monoisotopic Mass454.1870644
Topological Polar Surface Area98.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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