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Propiverine N-oxide

CAT: 0804-HY-171000Size: 1 EachDry Ice: NoHazardous: No
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Description
Propiverine N-oxide is the main metabolite of hydrochloride propiverine, and it can affect bladder contractions and saliva secretion in small pigs[1].
CAS Number
111071-96-6
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCC)OC3CC[N+](C)(CC3)[O-]
Molecular Formula
C23H29NO4
Molecular Weight
383.48
References & Citations
[1]J R Scheepe, et al. Effects of propiverine and its metabolite propiverine-N-oxide on bladder contraction and salivation in mini pigs. Urol Int. 2008;81 (4) :468-73.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Propiverine N-oxide
CAS Number111071-96-6
PubChem CID6337695
IUPAC Name(1-methyl-1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
Molecular FormulaC23H29NO4
Molecular Weight383.5
XLogP4.1
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity471
SMILES
CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC[N+](CC3)(C)[O-]
InChI
InChI=1S/C23H29NO4/c1-3-18-27-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)28-21-14-16-24(2,26)17-15-21/h4-13,21H,3,14-18H2,1-2H3
InChIKey
UCEROFWFVDOVSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propiverine N-oxide
CAS: 111071-96-6
CID: 6337695
Formula: C23H29NO4
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass383.20965841
Monoisotopic Mass383.20965841
Topological Polar Surface Area53.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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