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Solifenacin N-Oxide

CAT: 0024-sc-212951Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-212951Size:1 mg
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CAS Number
180272-28-0

Chemical Information

Solifenacin N1-oxide
CAS Number180272-28-0
PubChem CID29987059
IUPAC Name[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular FormulaC23H26N2O3
Molecular Weight378.5
XLogP3.4
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity568
SMILES
C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5)[O-]
InChI
InChI=1S/C23H26N2O3/c26-23(28-21-16-25(27)14-11-18(21)12-15-25)24-13-10-17-6-4-5-9-20(17)22(24)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t18?,21-,22-,25?/m0/s1
InChIKey
PNHAPLMCCXMFAI-QYYKVDRLSA-N
Chemical Structure
2D Structure
2D structure of Solifenacin N1-oxide
CAS: 180272-28-0
CID: 29987059
Formula: C23H26N2O3
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass378.19434270
Monoisotopic Mass378.19434270
Topological Polar Surface Area47.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-S676710-5MGSolifenacin N-Oxide
CS-O-33055Solifenacin succinate n-oxide
AR-S01748-014-Hydroxy Solifenacin N-Oxide
AR-S01778-01Solifenacin EP Impurity I-d5 (Solifenacin-N-Oxide-d5)
AR-S01780-014-Hydroxy Solifenacin-d5 N-Oxide
TRC-H953485-5MGcis-Hydroxy Solifenacin N-Oxide(Mixture of Diastereomers)
CS-O-615494R-hydroxy solifenacin N1-oxide
TRC-H953487-50MGcis-Hydroxy Solifenacin-d5 N-Oxide(Mixture of Diastereomers)
CS-T-97408Cis-Hydroxy Solifenacin-d5 N-Oxide (Mixture of Diastereomers)
AR-S01736-01Solifenacin N-Glucuronide

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