OXITROPIUM BROMIDE

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Synonyms
Status
Molecule Category Salt-form
ATC R03BB02
UNII SF4NW7NH7C

Structure

InChI Key LCELQERNWLBPSY-YAYGZGPXSA-M
Smiles CC[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]
InChI
InChI=1S/C19H26NO4.BrH/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;1H/q+1;/p-1/t13?,14-,15-,16+,17-,18+,20?;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26BrNO4
Molecular Weight 412.32
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

Cross References

Resources Reference
ChEMBL CHEMBL4297109
FDA SRS SF4NW7NH7C
CONTENTS