Basic information
- CAS
87071-16-7- Standard SMILES
O=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
MSDLMFOYXOFYBK-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O6
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.077514
Overview
Arclofenin is a member of benzophenones.
Names & identifiers
- Preferred name
- Arclofenin
- IUPAC
- 2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
- English name
- Arclofenin
- Molecular formula
- C19H17ClN2O6
- Molecular weight
- 404.8
Names & synonyms
Arclofenin87071-16-7RN145A0SVL2-[[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid2,2'-((2-((2-Benzoyl-4-chlorophenyl)amino)-2-oxoethyl)azanediyl)diacetic acidGlycine, N-(2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-N-(carboxymethyl)ArclofeninumArclophenin((((2-Benzoyl-4-chlorophenyl)carbamoyl)methyl)imino)diacetic acidGlycine, N-(2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-N-(carboxymethyl)-Arclofenin [USAN:INN]UNII-RN145A0SVL
Show more names
N-[2-[(2-Benzoyl-4-chlorophenyl)amino]-2-oxoethyl]-N-(carboxymethyl)glycineGlycine, N-[2-[(2-benzoyl-4-chlorophenyl)amino]-2-oxoethyl]-N-(carboxymethyl)-
ArclofeninaArclofenine[[[(2-Benzoyl-4-chlorophenyl)carbamoyl]methyl]imino]diacetic acidARCLOFENIN [INN]Arclofenin (USAN/INN)ARCLOFENIN [USAN]SCHEMBL636517orb1698348
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Boiling point
- 732.6 · 732.6±60.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 1.68 · 1.68±0.10(Predicted)
- FDA UNII
- 145 A0SVL · RN145A0SVL
Chemistry & industry
Applications
UsesDiagnostic aid (hepatic function determination).
UsesArclofenin is derived from Nitrilotriacetic Acid (N490175), which is a chelating agent which forms coordination compound with metal ions. Nitrilotriacetic acid is used in complexometric titrations and as well as for protein isolation and purification in the His-tag method.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Arclofenin is a member of benzophenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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