Nornicotine, N-formyl (CED0137051)

Record Information

Version

1.0

Creation Date

2026-04-04 18:17:36 UTC

Update Date

2026-08-17 23:32:07 UTC

Accession Number

CHEM077440

Identification

Common Name

Nornicotine, N-formyl

Class

Small Molecule

Description

Nornicotine, N-formyl is an organic compound with the formula C10H12N2O1 and an average molecular weight of 176.22 g/mol. Nornicotine, N-formyl belongs to the pyrrolidinylpyridines, a subclass of pyridines and derivatives within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. This compound has been identified in or released from four recorded sources associated with household cleaning and consumer products. These sources include non electric simulated smoking devices, other smoking requisites, pipe accessories, and tobacco pipes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂N₂O₁

Average Molecular Mass

176.219 g/mol

Monoisotopic Mass

176.095 g/mol

CAS Registry Number

3000-81-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O=CN1CCCC1C1=CN=CC=C1

InChI Identifier

InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2

InChI Key

GQLSEYOOXBRDFZ-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
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0900000000-775198b6e3c4083a45be	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0900000000-8232312cd81e1fa4cb83	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0900000000-fb0fb81c89e933018cd5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0059-1900000000-6a7d029a21365bfc30be	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-3900000000-4526d88a709d1f7d0f6b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-6900000000-6332a13dc388a053c6db	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9700000000-c166f709823b476c42f3	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9500000000-72594d353aab79460383	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-9200000000-30f24f42f0dbdff7da7a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-7139e6b398b38150d62f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00di-9000000000-d40a06c18426e1855c5a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-1d325ea5c08eae963544	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-d80510d294c74e5fabc0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-8d6d3de7fc4c92baad34	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a59-0900000000-c49cb527d90ee36ddc18	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00lr-0900000000-2bf47ad73225c49298b5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00lr-1900000000-bcd4e942f104f9fb8981	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0gec-6900000000-ce682c858899a98de305	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-001i-0900000000-5e235a889c23f33f3467	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
266.0	Log mg/kg	[150:470]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	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	Lycopene beta-cyclase	P21687	Pantoea ananas	Predicted (SEA)	0.0778492
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-9	P43144	Rattus norvegicus	Predicted (SEA)	0.700643
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	11.9888
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	Q05941	Rattus norvegicus	Predicted (SEA)	7.31783
Click to view 3D structure	Neuronal acetylcholine receptor subunit beta-4	P12392	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	5.60514
Click to view 3D structure	Acetylcholine-binding protein	P58154	Lymnaea stagnalis	Predicted (SEA)	4.9045
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	401.546
Click to view 3D structure	Nicotinic acetylcholine receptor alpha 5 subunit	A9XFY4	Musca domestica	Predicted (SEA)	0.622794
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-2	P12389	Rattus norvegicus	Predicted (SEA)	0.544945
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-3	P32297	Humans	Predicted (SEA)	1.24559
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	323.697
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P49582	Mus musculus	Predicted (SEA)	2.49118
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2531.89
Click to view 3D structure	Sialic acid-binding Ig-like lectin 9	Q9Y336	Humans	Predicted (SEA)	19.8516
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	2188.34
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	328.446
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1699.6
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	2802.34
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	43.2842
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	1826.58
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	198.126
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	78.5499
Click to view 3D structure	Acetylcholine receptor subunit beta-like 2	P25162	Drosophila melanogaster	Predicted (SEA)	1.94623
Click to view 3D structure	Soluble acetylcholine receptor	Q8WSF8	Aplysia californica	Predicted (SEA)	5.60514