Basic information
- CAS
66292-52-2- Standard SMILES
CCCCc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1- InChIKey
XSYSSUAGVNOMCE-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Overview
Butilfenin is a small molecule drug. Butilfenin has a monoisotopic molecular weight of 322.15 Da.
Names & identifiers
- Preferred name
- Butilfenin
- IUPAC
- 2-[[2-(4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
- English name
- butilfenin
- Molecular formula
- C16H22N2O5
- Molecular weight
- 322.36
Names & synonyms
Butilfeninp-BIDAButilfenine66292-52-2p-BUTYL IDA2-[[2-(4-butylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid((((p-Butylphenyl)carbamoyl)methyl)imino)diacetic acidQR6229817GButilfeninoButilfeninumGlycine, N-(2-((4-butylphenyl)amino)-2-oxoethyl)-N-(carboxymethyl)-Butilfenin [USAN:INN]
Show more names
[(4-Butylphenyl)carbamoylmethyl]iminodiacetic acidGlycine, N-[2-[(4-butylphenyl)amino]-2-oxoethyl]-N-(carboxymethyl)-
Butilfenine [INN-French]Butilfeninum [INN-Latin]Butilfenino [INN-Spanish]ButilfeninaUNII-QR6229817GEINECS 266-301-6BUTILFENIN [INN]Butilfenin (USAN/INN)
Database identifiers
- CAS
66292-52-2- PubChem CID
- 47894
- DTXSID
DTXSID80216506- ChEMBL
CHEMBL2104651- UNII
- QR6229817G
- EC Number
- 266-301-6
- Nikkaji
- J18.645G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- FDA UNII
- 6229817 G · QR6229817G
Chemistry & industry
Applications
UsesDiagnostic aid (hepatic function determination).
Suppliers3 total
2A PharmaChem USA[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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