Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 1PVF6JLU7B
Parent Compound: GLYCOPYRRONIUM

Structure

InChI Key UOWOLENSDISMPG-UHFFFAOYSA-M
Smiles C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cc1ccc(S(=O)(=O)[O-])cc1.O
InChI
InChI=1S/C19H28NO3.C7H8O3S.H2O/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;2-5H,1H3,(H,8,9,10);1H2/q+1;;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H37NO7S
Molecular Weight 507.65
AlogP 2.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL3707243
FDA SRS 1PVF6JLU7B
PubChem 121225724
SureChEMBL SCHEMBL15994983