OXITROPIUM

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Synonyms
Status
Molecule Category Free-form
UNII 8G15T83E6I

Structure

InChI Key NVOYVOBDTVTBDX-AGUVMIOSSA-N
Smiles CC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChI
InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26NO4+
Molecular Weight 332.42
AlogP 1.45
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297364
FDA SRS 8G15T83E6I
PubChem 6917866
ZINC ZINC000000000581
CONTENTS