2-decyltetradecyl n-[3-[(2-decyltetradecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate (CED0096113)

Record Information

Version

1.0

Creation Date

2026-08-23 03:09:57 UTC

Update Date

2026-08-23 03:09:57 UTC

Accession Number

CHEM226345

Identification

Common Name

2-decyltetradecyl n-[3-[(2-decyltetradecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate

Class

Small Molecule

Description

2-decyltetradecyl n-[3-[(2-decyltetradecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C60H118N2O4. With an average molecular weight of 931.60 g/mol, 2-decyltetradecyl n-[3-[(2-decyltetradecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆₀H₁₁₈N₂O₄

Average Molecular Mass

931.600 g/mol

Monoisotopic Mass

930.909 g/mol

CAS Registry Number

185458-78-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C60H118N2O4/c1-8-12-16-20-24-28-30-34-38-41-45-54(44-40-36-32-26-22-18-14-10-3)50-65-57(63)61-53-60(7)49-56(48-59(5,6)52-60)62-58(64)66-51-55(46-42-37-33-27-23-19-15-11-4)47-43-39-35-31-29-25-21-17-13-9-2/h54-56H,8-53H2,1-7H3,(H,61,63)(H,62,64)

InChI Key

SSTPOAUVESWRJG-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

Not Available

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
7269.0	Log mg/kg	[4100:13000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

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	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	16.1148
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	83.2208
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	101.671
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	130.787
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	13.3901
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	63.9142
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	32.7745
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	14.1686
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	8.87481
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	19.1509
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	20.4743
Click to view 3D structure	Lysosomal alpha-glucosidase	P70699	Mus musculus	Predicted (SEA)	8.32987
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	11.7552
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	10.8989
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	47.4102
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	15.3363
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	11.2881
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	14.3243
Click to view 3D structure	P-selectin	Q01102	Mus musculus	Predicted (SEA)	28.4928
Click to view 3D structure	E-selectin	Q00690	Mus musculus	Predicted (SEA)	28.4928
Click to view 3D structure	L-selectin	P18337	Mus musculus	Predicted (SEA)	28.4928
Click to view 3D structure	UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Q5HMD9	Staphylococcus epidermidis (strain ATCC 35984 / RP62A)	Predicted (SEA)	39.3139
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	72.5555
Click to view 3D structure	Diacylglycerol lipase-alpha	Q9Y4D2	Humans	Predicted (SEA)	1181.28
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	3028.88