Trans-4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutanamide,1-oxide. (CED0149845)

Record Information

Version

1.0

Creation Date

2026-04-06 12:08:54 UTC

Update Date

2026-08-22 09:03:28 UTC

Accession Number

CHEM124058

Identification

Common Name

Trans-4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutanamide,1-oxide.

Class

Small Molecule

Description

Trans-4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutanamide,1-oxide. belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This organic compound has the chemical formula C29H33Cl1N2O3 and an average molecular weight of 493.00 g/mol. It is further classified under the superclass of benzenoids. The compound has been identified in or released from three recorded sources associated with electrical and electronic equipment, specifically magnets, radio transmission systems, and X ray tubes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₃₃Cl₁N₂O₃

Average Molecular Mass

493.000 g/mol

Monoisotopic Mass

492.218 g/mol

CAS Registry Number

106900-12-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

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

InChI Key

KXVSBTJVTUVNPM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-01b9-5942500000-f6f47eb36fc0b4cab6d5	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
232.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
527	Magnets	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	75.2023
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	28.8042
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	25.8459
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	41.2601
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	54.4166
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	138.027
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	151.806
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	41.4936
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	218.134
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	169.478
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	132.11
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	29.0378
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	24.9896
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	221.403
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	78.3942
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	99.4135
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	90.6165
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	88.9038
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	144.099
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	107.51
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	70.2978
Click to view 3D structure	Alpha-1B adrenergic receptor	P15823	Rattus norvegicus	Predicted (SEA)	57.5306
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	248.884
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	150.95
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	8.48557