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Loperamide Oxide , CAS No.106900-12-3

COA

Cas Number: 106900-12-3
Molecular Weight: 493.04
PubChem CID: 71421

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Item Number

L356038

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SKU	Size	Availability	Price	Qty
L356038-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90

a prodrug of Loperamide

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Class A GPCR (4138)

Basic Description

Synonyms	1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-, 1-oxide, cis- \| TRANS-4-(P-CHLOROPHENYL)-4-HYDROXY-N,N-DIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-1-PIPERIDINEBUTYRAMIDE 1-OXIDE \| HN2 hydrochloride \| LOPERAMIDE OXIDE, CIS- \|
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Loperamide oxide (LOPOX) is a prodrug of Loperamide (LOP). It is concluded that Loperamide oxide administered intraluminally is reduced to Loperamide and has the same antisecretory potency as Loperamide in jejunum and colon.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Phenylpiperidines Phenylacetamides Chlorobenzenes Aryl chlorides N-acyl amines Trialkyl amine oxides Tertiary carboxylic acid amides Tertiary alcohols Trisubstituted amine oxides and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organochlorides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Phenylpiperidine - Phenylacetamide - Halobenzene - Chlorobenzene - N-acyl-amine - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Tertiary alcohol - Trialkyl amine oxide - Carboxamide group - Trisubstituted n-oxide - N-oxide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-[4-(4-chlorophenyl)-4-hydroxy-1-oxidopiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
INCHI	InChI=1S/C29H33ClN2O3/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32(35)20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
InChIKey	KXVSBTJVTUVNPM-UHFFFAOYSA-N
Smiles	CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES	CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4
UN Number	2811
Packing Group	III
Molecular Weight	493.04
Reaxy-Rn	6356243
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6356243&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	169-173° C
Molecular Weight	493.000 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	492.218 Da
Monoisotopic Mass	492.218 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	668.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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