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Chemical structure of N-Isopropylnoratropine

GC10378

N-Isopropylnoratropine

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

used in the synthesis of ipratropium, a muscarinic antagonist

ChemicalCAS22235-81-0MW317.4FormulaC19H27NO3
CAS number
22235-81-0
Molecular weight
317.4
Formula
C19H27NO3
Solubility
≤16mg/ml in ethanol;10mg/ml in DMSO;2mg/ml in dimethyl formamide
InChIKey
VORSMCHHJRVORT-OQSMONGASA-N
Catalogue number
GC10378
Brand
GLPBIO
Computed properties PubChem CID 10958098 · XLogP 2.6 · TPSA 49.8 Ų · H-bond donors 1
XLogP
2.6
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23

SMILES CC(C)N1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Computed descriptors from PubChem (CID 10958098), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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