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Chemical structure of Tetrahydroalstonine

GC39016

Tetrahydroalstonine

Also known as methyl (1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

Tetrahydroalstonine, a indole alkaloid isolated from the fruits of Rhazya stricta, is a selective alpha 2-adrenoceptor antagonist

ChemicalCAS6474-90-4MW352.43FormulaC21H24N2O3
CAS number
6474-90-4
Molecular weight
352.43
Formula
C21H24N2O3
Solubility
DMSO ： 100 mg/mL (283·74 mM; Need ultrasonic)
InChIKey
GRTOGORTSDXSFK-DLLGKBFGSA-N
Catalogue number
GC39016
Brand
GLPBIO
Computed properties PubChem CID 72340 · XLogP 2.7 · TPSA 54.6 Ų · H-bond donors 1
XLogP
2.7
TPSA
54.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45

Computed descriptors from PubChem (CID 72340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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