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T-0509

CAT: 0013-GTR19196389-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196389-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
T-0509
CAS Number
96843-99-1
Product Name Alternative
AdrenergicReceptor, Adrenergic Receptor, β1-adrenoceptor, T 0509, T0509, T-0509
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.46% (May vary between batches)
Solubility
DMSO:15 mg/mL (44.99 mM)
Smiles
C (CNC[C@H] (O) C1=CC (O) =C (O) C=C1) C2=CC (OC) =C (OC) C=C2
Molecular Formula
C18H23NO5
Molecular Weight
333.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol
CAS Number96843-99-1
PubChem CID9819017
IUPAC Name4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol
Molecular FormulaC18H23NO5
Molecular Weight333.4
XLogP1.8
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity356
SMILES
COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC(=C(C=C2)O)O)O)OC
InChI
InChI=1S/C18H23NO5/c1-23-17-6-3-12(9-18(17)24-2)7-8-19-11-16(22)13-4-5-14(20)15(21)10-13/h3-6,9-10,16,19-22H,7-8,11H2,1-2H3/t16-/m0/s1
InChIKey
DIPGFXJERHNAQQ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of 4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol
CAS: 96843-99-1
CID: 9819017
Formula: C18H23NO5
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass333.15762283
Monoisotopic Mass333.15762283
Topological Polar Surface Area91.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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