Products for Research Use Only

Loperamide D6

CAT: 1299-RM-L160510-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-L160510-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1189469-46-2
Synonyms
4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -N, N-bis (methyl-d3) -2,2-diphenylbutanamide
Molecular Formula
C29H27D6ClN2O2
Molecular Weight
483.08
Target Alternative Name
Loperamide
Product Name Synonym
4- (4- (4-chlorophenyl) -4-hydroxypiperidin-1-yl) -N, N-bis (methyl-d3) -2,2-diphenylbutanamide

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...
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