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Solifenacin hydrochloride

CAT: 0607-B3415-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B3415-100Size:100 mg
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Description
muscarinic receptor antagonist
CAS Number
180468-39-7
Product Name Alternative
(1S)-3,4-Dihydro-1-phenyl-2(1H)-isoquinolinecarboxylic Acid (3R)-1-Azabicyclo-[2.2.2]oct-3-yl Ester Hydrochlorid
Field of Research
Neuroscience AChR
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C(O[C@@H]1[C@]2([H])CC[N@@](CC2)C1)N(CC3)[C@@H](C4=CC=CC=C4)C5=C3C=CC=C5.Cl
Molecular Formula
C23H27ClN2O2
Molecular Weight
398.93
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Solifenacin hydrochloride
CAS Number180468-39-7
PubChem CID154058
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
Molecular FormulaC23H27ClN2O2
Molecular Weight398.9
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity524
SMILES
C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.Cl
InChI
InChI=1S/C23H26N2O2.ClH/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;1H/t21-,22-;/m0./s1
InChIKey
YAUBKMSXTZQZEB-VROPFNGYSA-N
Chemical Structure
2D Structure
2D structure of Solifenacin hydrochloride
CAS: 180468-39-7
CID: 154058
Formula: C23H27ClN2O2
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass398.1761058
Monoisotopic Mass398.1761058
Topological Polar Surface Area32.8 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes

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