Products for Research Use Only
RegisterLogin

Esoxybutynin Chloride

CAT: 0931-T71889-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T71889-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
230949-16-3
Target
Others, AChR
Related Pathways
Neuroscience, Others
Bioactivity
Esoxybutynin Chloride is (S) -enantiomer of oxybutynin. Esoxybutynin Chloride exerts antimuscarinic properties. Racemic oxybutynin is used clinically to treat urinary incontinence. Sepracor was developing (S) -oxybutynin, a single-isomer version of Alza's Ditropan (racemic oxybutynin), a muscarinic acetylcholine receptor antagonist, as a potential treatment for urinary incontinence.
Smiles
Cl.CCN(CC)CC#CCOC(=O)[C@](O)(C1CCCCC1)c1ccccc1
Molecular Formula
C22H32ClNO3
Molecular Weight
393.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-Cyclohexyl-hydroxy-phenyl-acetic acid 4-diethylamino-but-2-ynyl ester hydrochloride

Esoxybutynin Chloride is the chloride salt form of esoxybutynin, the dextrorotary form of oxybutynin S isomer [S(+)-isomer], with antispasmodic activity. Esoxybutynin chloride exerts its antimuscarinic effect on bladder smooth muscle by blocking muscarinic receptors in smooth muscle, thereby inhibiting acetylcholine binding. This results in a relaxation of bladder smooth muscle, a reduction of involuntary muscle contractions and delays the initial desire to void.

CAS Number230949-16-3
PubChem CID206529
IUPAC Name4-(diethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Molecular FormulaC22H32ClNO3
Molecular Weight393.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
CCN(CC)CC#CCOC(=O)[C@](C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H/t22-;/m1./s1
InChIKey
SWIJYDAEGSIQPZ-VZYDHVRKSA-N
Chemical Structure
2D Structure
2D structure of (S)-Cyclohexyl-hydroxy-phenyl-acetic acid 4-diethylamino-but-2-ynyl ester hydrochloride
CAS: 230949-16-3
CID: 206529
Formula: C22H32ClNO3
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass393.2070716
Monoisotopic Mass393.2070716
Topological Polar Surface Area49.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
T71268-01Esoxybutynin Free Base
T124852-01Quercetagetinidin chloride
TN4060Fisetinidin chloride
T24508-01Muscarine chloride
TN1043-01Keracyanin chloride
T125266-01Guibourtinidin chloride
T7538-01Tetraethylammonium chloride
T65401Potassium chloride
T0461-01Berberine chloride
T20738-01Chlormequat chloride

Alternative Products

CatalogName
MBS5814394Esoxybutynin Chloride
MBS5813807Esoxybutynin Free Base
189775-01Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01TMA chloride-d12 (chloride)
3125490Tin chloride (stannous chloride)
3121645Cobalt chloride (Cobaltous chloride)
3125225Stannous chloride (tin chloride)
3123430Manganous chloride (Manganese chloride)
53473813-100gHexadecyltrimethylammonium chloride (Cetyltrimethylammonium chloride)
3121825Cupric chloride (Copper chloride)

Popular Products