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Solifenacin N-Oxide

CAT: 0572-TRC-S676710-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S676710-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
180272-28-0
Synonyms
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-oxido-1-azabicyclo[2.2.2]oct-3-yl ester, (1S)-; Solifenacin N1-oxide; Solifenacin Succinate Impurity I; Solifenacin Impurity I
Hazard Statement
Harmful if swallowed
Smiles
[O-][N+]12CCC(CC1)[C@H](C2)OC(=O)N3CCc4ccccc4[C@@H]3c5ccccc5
Molecular Formula
C23 H26 N2 O3
Molecular Weight
378.46
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
Additionnal Information
IUPAC name: [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

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
MBS6107138-01Solifenacin 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
CS-O-615494R-hydroxy solifenacin N1-oxide
CS-T-97408Cis-Hydroxy Solifenacin-d5 N-Oxide (Mixture of Diastereomers)
AR-S01736-01Solifenacin N-Glucuronide
sc-220121Solifenacin N-β-D-Glucuronide
AR-S01779-01Solifenacin-d5-N-Glucuronide

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