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Solifenacin EP Impurity H

CAT: 1596-AR-S09336-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09336-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
732228-02-3
Synonyms
(3S) -1-Azabicyclo[2.2.2]octan-3-yl (1S) -1-phenyl-3,4-dihydroisoquinoline-2 (1H) -carboxylate; Solifenacin (1S,3S) -Isomer
Molecular Formula
C23H26N2O2
Molecular Weight
362.5
API Name
Solifenacin

Chemical Information

(1S,3'S)-Solifenacin
CAS Number732228-02-3
PubChem CID11567493
IUPAC Name[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular FormulaC23H26N2O2
Molecular Weight362.5
XLogP4
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity524
SMILES
C1CN2CCC1[C@@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5
InChI
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m1/s1
InChIKey
FBOUYBDGKBSUES-YADHBBJMSA-N
Chemical Structure
2D Structure
2D structure of (1S,3'S)-Solifenacin
CAS: 732228-02-3
CID: 11567493
Formula: C23H26N2O2
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass362.199428076
Monoisotopic Mass362.199428076
Topological Polar Surface Area32.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity524
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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