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Catalog Number | ACM6474904 |
CAS Number | 6474-90-4 |
Structure | ![]() |
Synonyms | 3,4,5,6-Tetrahydro-alstonin |
Molecular Weight | 352.4 |
InChI | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1 |
InChI Key | GRTOGORTSDXSFK-DLLGKBFGSA-N |
Purity | 95%+ |
Complexity | 606 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 4 |
Exact Mass | 352.17869263 |
Heavy Atom Count | 26 |
Hydrogen Bond Acceptor Count | 4 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
Monoisotopic Mass | 352.17869263 |
PhysicalState | Solid |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 54.6 Ų |
What is the chemical formula of Tetrahydroalstonine?
The chemical formula of Tetrahydroalstonine is C21H24N2O3.
What is the molecular weight of Tetrahydroalstonine?
The molecular weight of Tetrahydroalstonine is 352.43.
What is the melting point of Tetrahydroalstonine?
The melting point of Tetrahydroalstonine is 227°C.
In what form is Tetrahydroalstonine commonly found?
Tetrahydroalstonine is commonly found in solid form.
What are the solvents in which Tetrahydroalstonine is soluble?
Tetrahydroalstonine is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
What is the storage temperature recommended for Tetrahydroalstonine?
The recommended storage temperature for Tetrahydroalstonine is 4°C, protected from light.
What is the role of Tetrahydroalstonine in plant species?
Tetrahydroalstonine is a metabolite found in several plant species, and it has a role as a plant metabolite.
What is the target of Tetrahydroalstonine?
The target of Tetrahydroalstonine is the Adrenergic Receptor.
What is the predicted boiling point of Tetrahydroalstonine?
The predicted boiling point of Tetrahydroalstonine is 524.0±50.0 °C.
What is the predicted pka of Tetrahydroalstonine?
The predicted pka of Tetrahydroalstonine is 18.03±0.60.
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