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Oxybutynin-d11 Chloride

CAT: 0572-TRC-O868527-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O868527-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185151-95-4
Synonyms
4-Diethylaminobut-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate hydrochloride; 4-(Diethylamino)-2-butyn-1-yl α-(cyclohexyl-d11)-α-hydroxybenzeneacetate hydrochloride; (±)-Oxybutynin-d11 HCl (cyclohexyl-d11); Oxybutynin-d11 Chloride; Oxybutynin-D11 (cyclohexyl-D11) Hydrochloride
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(O)(C(=O)OCC#CCN(CC)CC)c2ccccc2)C([2H])([2H])C1([2H])[2H]
Molecular Formula
C22 D11 H20 N O3 . Cl H
Molecular Weight
405.015
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;
Additionnal Information
IUPAC name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)acetate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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

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Alternative Products

CatalogName
sc-219512Oxybutynin-d11 Chloride
HY-B0267AS-01Oxybutynin-d11 (chloride)
FO26701-01Oxybutynin chloride
HY-B0267A-01Oxybutynin (chloride)
O8241-03Oxybutynin-d11 Chloride (a-Phenylcyclohexane-d11-glycolic Acid 4- (Diethylamino) -2-butynyl Ester, Hydrochloride, Cystrin-d11, Ditropan-d11, Dridase-d11, Kentera-d11)
MBS6021313-01Oxybutynin-d11 Chloride (a-Phenylcyclohexane-d11-glycolic Acid 4-(Diethylamino)-2-butynyl Ester, Hydrochloride, Cystrin-d11, Ditropan-d11, Dridase-d11, Kentera-d11)
sc-219762(R) -Oxybutynin Chloride
sc-220080(S) -Oxybutynin Chloride
HY-B0267AR-01Oxybutynin (chloride) (Standard)
451883-01Hexanoyl Chloride-d11

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