OXITROPIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8G15T83E6I

Structure
InChI Key NVOYVOBDTVTBDX-AGUVMIOSSA-N
Smile CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 99571-64-9
ChEMBL CHEMBL4297364
FDA SRS 8G15T83E6I
PubChem 6917866
ZINC ZINC000000000581
CONTENTS