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Chemical structure of Hyoscyamine

GC11035

Hyoscyamine

Also known as [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

Hyoscyamine (Daturine), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist

ChemicalCAS101-31-5MW289.37FormulaC17H23NO3
CAS number
101-31-5
Molecular weight
289.37
Formula
C17H23NO3
Solubility
≥ 14·5mg/mL in DMSO
InChIKey
RKUNBYITZUJHSG-VFSICIBPSA-N
Catalogue number
GC11035
Brand
GLPBIO
Computed properties PubChem CID 154417 · XLogP 1.8 · TPSA 49.8 Ų · H-bond donors 1
XLogP
1.8
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

SMILES CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3

Computed descriptors from PubChem (CID 154417), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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