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Teoprolol

CAT: 0013-GTR19204652-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204652-03Size:100 mg
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Description
Teoprolol
CAS Number
65184-10-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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
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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

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CatalogName
QCA18410Teoprolol

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