(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea (CED0073315)

Record Information

Version

1.0

Creation Date

2026-08-17 23:40:01 UTC

Update Date

2026-08-17 23:40:01 UTC

Accession Number

CHEM145145

Identification

Common Name

(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea

Class

Small Molecule

Description

(3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea is an organic compound with the formula C10H12N4O3 and an average molecular weight of 236.23 g/mol. (3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea belongs to the indoles and derivatives, a class of organoheterocyclic compounds within the organic compounds. The substance has been identified in or released from five recorded sources. These include building and construction materials such as ladders, as well as food, food processing and cookware items, specifically cellar tools and food preservation equipment. Additionally, it is found in electrical and electronic equipment, including television systems and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂N₄O₃

Average Molecular Mass

236.230 g/mol

Monoisotopic Mass

236.091 g/mol

CAS Registry Number

69-81-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,15-16H,4H2,1H3,(H2,11,17)

InChI Key

SSCSSDNTQJGTJT-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	splash10-0006-5940000000-67d926c6634835cab7bb	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
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
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
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
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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0090000000-43e9966c456bd3244b43	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01w0-2690000000-d87df13f70a729402b8b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-059e-1900000000-cb943fdd30dfe6ab60cd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01p9-0490000000-4e10d2b2da115882e4ed	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-0900000000-b46736223df8ef5c843e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ai-0930000000-7dff197002ba1eb77b94	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
3643.0	Log mg/kg	[2000:6500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
498	Ladders	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
543	Cellar Tools	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	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	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	2310.56
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	4702.95
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	1602.45
Click to view 3D structure	Choline trimethylamine-lyase	Q30W70	Desulfovibrio alaskensis	Predicted (SEA)	0.700643
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	2892.02
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	4059.53
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	5508.84
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	6315.28
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	6639.92
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	5857.69
Click to view 3D structure	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	3802.7
Click to view 3D structure	Glutathione S-transferase theta-1	Q01579	Rattus norvegicus	Predicted (SEA)	227.008
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	3417.27
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	6632.52
Click to view 3D structure	Ribosomal protein S6 kinase alpha-1	Q63531	Rattus norvegicus	Predicted (SEA)	208.013
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	6664.83
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	6463.43
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	6076.05
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	7149.75
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	5988.94
Click to view 3D structure	SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2	P51531	Humans	Predicted (SEA)	1239.05
Click to view 3D structure	Protein polybromo-1	Q86U86	Humans	Predicted (SEA)	831.663
Click to view 3D structure	SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4	P51532	Humans	Predicted (SEA)	987.595
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	6550.0
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	6828.86