1,3-dicyclohexylurea

Synonyms: "N,N'-dicyclohexylurea", "dicyclohexylurea", "DCW"

Source: 1,3-dicyclohexylurea is a byproduct of N,N'-dicyclohexylcarbodiimide, which is used during artificial peptide synthesis.

Identifiers:

IUPAC Name: 1,3-dicyclohexylurea
CAS Number: 2387-23-7
PubChem ID: 4277
InChiKey: ADFXKUOMJKEIND-UHFFFAOYSA-N
Canonical SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2

Structural Properties:

Molecular Formula: C₁₃H₂₄N₂O
Molecular Weight: 224.343

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 1
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Ahn KC, Zhao B, Chen J, Cherednichenko G, Sanmarti E, Denison MS, Lasley B, Pessah IN, Kultz D, Chang DPY, Gee SJ, Hammock BD. 2008. In vitro biologic activities of the antimicrobials triclocarban, its analogs, and triclosan in bioassay screens: Receptor-based bioassay screens. Environ Health Perspect 116(9):1203-1210.