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Loperamide-d6 Hydrochloride

CAT: 0572-TRC-L469452-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L469452-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189469-46-2
Synonyms
4-(4-Chlorophenyl)-4-hydroxy-N,N-(dimethyl-d6)-α,α-diphenyl-1-piperidinebutanamide Hydrochloride; Arret-d6; Blox-d6; Brek-d6; Dissenten-d6; Fortasec-d6; Imodium-d6; Imodium A-D-d6; Imosec-d6; Imossel-d6; Lopemid-d6; Lopemin-d6; Loperazine-d6; Loperyl-d6; Lopodium-d6; Maalox Antidiarrheal-d6; NSC 696356-d6; PJ 185-d6; R 18553-d6; Suprasec-d6; Tebloc-d6;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
ClC1=CC=C(C2(O)CCN(CCC(C3=CC=CC=C3)(C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C4=CC=CC=C4)CC2)C=C1.Cl
Molecular Formula
C29H27D6ClN2O2 . HCl
Molecular Weight
519.54
InChI
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H/i1D3,2D3;
Additionnal Information
IUPAC name: 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-bis(methyl-d3)-2,2-diphenylbutanamide hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Loperamide-d6 Hydrochloride
CAS Number1189469-46-2
PubChem CID45039663
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenyl-N,N-bis(trideuteriomethyl)butanamide;hydrochloride
Molecular FormulaC29H34Cl2N2O2
Molecular Weight519.5
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity623
SMILES
[2H]C([2H])([2H])N(C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4)C([2H])([2H])[2H].Cl
InChI
InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H/i1D3,2D3;
InChIKey
PGYPOBZJRVSMDS-TXHXQZCNSA-N
Chemical Structure
2D Structure
2D structure of Loperamide-d6 Hydrochloride
CAS: 1189469-46-2
CID: 45039663
Formula: C29H34Cl2N2O2
MW: 519.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass518.2373942
Monoisotopic Mass518.2373942
Topological Polar Surface Area43.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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