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Oxybutynin-d11 HCl

CAT: 1596-AR-O01692-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O01692-01Size:10 Units
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CAS Number
1185151-95-4
Synonyms
4- (diethylamino) but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate-D11 hydrochloride; ?-Phenylcyclohexane-d11-glycolic Acid 4- (Diethylamino) -2-butynyl Ester, Hydrochloride; Cystrin-d11; Ditropan-d11; Dridase-d11; Kentera-d11
Molecular Formula
C22H20D11NO3. HCl
Molecular Weight
368.56 36.46
API Name
Oxybutynin

Chemical Information

Oxybutynin-d11 Chloride
CAS Number1185151-95-4
PubChem CID45040170
IUPAC Name4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Molecular FormulaC22H32ClNO3
Molecular Weight405.0
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(C2=CC=CC=C2)(C(=O)OCC#CCN(CC)CC)O)([2H])[2H])([2H])[2H])[2H].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/i6D2,9D2,10D2,15D2,16D2,20D;
InChIKey
SWIJYDAEGSIQPZ-JPELPYLWSA-N
Chemical Structure
2D Structure
2D structure of Oxybutynin-d11 Chloride
CAS: 1185151-95-4
CID: 45040170
Formula: C22H32ClNO3
MW: 405.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass404.2761158
Monoisotopic Mass404.2761158
Topological Polar Surface Area49.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
Isotope Atom Count11
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-O01700-01(S) -Oxybutynin-D11
AR-O01701-01(R) -Oxybutynin-D11
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AR-O01684-01(S) -Oxybutynin HCl
AR-O01685-01(R) -Oxybutynin HCl
AR-O01746-01Oxybutynin HCl Adduct
AR-O01683-01Oxybutynin-d10 HCl
AR-B06561-01Benzhexol-d11 HCl (Trihexyphenidyl-d11 HCl)
AR-O01702-01Oxybutynin Adduct Impurity HCl
AR-O01688-01(S) -Desethyl Oxybutynin HCl

Alternative Products

CatalogName
CS-EO-02559(S) -Oxybutynin D11
sc-219512Oxybutynin-d11 Chloride
CS-O-02740Oxybutynin-d11 Hydrochloride
HY-B0267AS-01Oxybutynin-d11 (chloride)
CS-EO-02558(R) -Oxybutynin D11
sc-218135Desethyl Oxybutynin-d11 Hydrochloride
ESS0355-01Rac-Oxybutynin-D11 HCl
TRC-O868537-25MGMixture of (Z)-3-chloro-Oxybutynin-d11 and (Z)-2-chloro-Oxybutynin-d11(Oxybutynin HCI Adduct Impurity)
456291-01Mixture of (Z) -3-chloro-Oxybutynin-d11 and (Z) -2-chloro-Oxybutynin-d11 (Oxybutynin HCI Adduct Impurity)
TRC-D289477-10MGrac Desethyl Oxybutynin-d11 Hydrochloride

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