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Teoprolol

CAT: 0931-T13124-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13124-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65184-10-3
Target
Others, Adrenergic Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
Teoprolol is a blocker of β-adrenergic receptor.
Smiles
C(CC(NCC(COC1=C2C(NC(C)=C2)=CC=C1)O)C)N3C4=C(N=C3)N(C)C(=O)N(C)C4=O
Molecular Formula
C23H30N6O4
Molecular Weight
454.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,7-Dihydro-7-(3-((2-hydroxy-3-((2-methyl-1H-indol-4-yl)oxy)propyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6-dione
CAS Number65184-10-3
PubChem CID68852
IUPAC Name7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC23H30N6O4
Molecular Weight454.5
XLogP1.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity710
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)O
InChI
InChI=1S/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3
InChIKey
HITMZSXZYGLDCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dihydro-7-(3-((2-hydroxy-3-((2-methyl-1H-indol-4-yl)oxy)propyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6-dione
CAS: 65184-10-3
CID: 68852
Formula: C23H30N6O4
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass454.23285346
Monoisotopic Mass454.23285346
Topological Polar Surface Area116 Ų
Heavy Atom Count33
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19204652-01Teoprolol

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