Pancuronium (CED0003861)

Record Information

Version

1.0

Creation Date

2026-03-26 21:17:17 UTC

Update Date

2026-08-22 11:48:41 UTC

Accession Number

CHEM056470

Identification

Common Name

Pancuronium

Class

Small Molecule

Description

Pancuronium is a compound with the chemical formula C35H60N2O4. Pancuronium belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 572.87 g/mol, Pancuronium is a heavy molecule. This compound is found in or released from two recorded sources: healthcare, pharmaceuticals & veterinary products used as muscle relaxants, and household cleaning & consumer products categorized as other smoking requisites. The recorded route of exposure for this substance is intravenous. Pancuronium acts on three recorded protein targets, serving as an antagonist of the neuronal acetylcholine receptor subunit alpha-2 (CHRNA2), the muscarinic acetylcholine receptor M2 (CHRM2), and the muscarinic acetylcholine receptor M3 (CHRM3).

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₅H₆₀N₂O₄

Average Molecular Mass

572.874 g/mol

Monoisotopic Mass

572.455 g/mol

CAS Registry Number

15500-66-0;16974-53-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1

InChI Identifier

InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChI Key

GVEAYVLWDAFXET-XGHATYIMSA-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
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	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
365	Muscle relaxants	Healthcare, pharmaceuticals & veterinary products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
630	Toys	Recreation & sports surfaces	Not Available

Pathways

1 pathway

Pancuronium Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	37.7569
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	582.39
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	17.2825
Click to view 3D structure	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2	Q11205	Rattus norvegicus	Predicted (SEA)	20.1629
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	396.019
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 1	P18405	Humans	Predicted (SEA)	18.8395
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	1018.97
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	470.521
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	40.248
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	23.1991
Click to view 3D structure	Eukaryotic initiation factor 4A-I	P60843	Mus musculus	Predicted (SEA)	0.233548
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	64.0699
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	23.6662
Click to view 3D structure	Neurogenic locus notch homolog protein 1	Q01705	Mus musculus	Predicted (SEA)	0.311397
Click to view 3D structure	Cycloartenol-C-24-methyltransferase	Q9LM02	Arabidopsis thaliana	Predicted (SEA)	2.56902
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	74.1125
Click to view 3D structure	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Rattus norvegicus	Predicted (SEA)	8.01847
Click to view 3D structure	Solute carrier family 22 member 2	O15244	Humans	Predicted (SEA)	7.23998
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	32.6967
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 2	E9PTA2	Rattus norvegicus	Predicted (SEA)	3.03612
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 3	O35627	Mus musculus	Predicted (SEA)	9.18621
Click to view 3D structure	Multidrug and toxin extrusion protein 1	Q96FL8	Humans	Predicted (SEA)	30.5169
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	P11413	Humans	Predicted (SEA)	12.4559
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	20.3186
Click to view 3D structure	Cytochrome P450 7B1	O75881	Humans	Predicted (SEA)	8.48557