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5657-19-2

5657-19-2 Structure

5657-19-2 Structure
IdentificationBack Directory
[Name]

N-(2-FUROYL)GLYCINE
[CAS]

5657-19-2
[Synonyms]

furoilglicina
furoylglycine
2-furoylglycine
furfuroylglycine
Pyromucuric acid
n-2-furoyl-glycin
AKOS BBS-00000709
N-(2-FUROYL)GLYCINE
N-(2-furoyl)glycinate
n-(2-furanylcarbonyl)-glycin
n-(2-furanylcarbonyl)glycine
N-(2-FUROYL)GLYCINE USP/EP/BP
Glycine, N-(2-furanylcarbonyl)-
2-(furan-2-carbonylamino)aceticaci
2-(2-furylcarbonylamino)acetic acid
2-(furan-2-carbonylamino)acetic acid
[Molecular Formula]

C7H7NO4
[MDL Number]

MFCD00030606
[MOL File]

5657-19-2.mol
[Molecular Weight]

169.13
Chemical PropertiesBack Directory
[Melting point ]

163-165 °C(lit.)
[Boiling point ]

466.0±25.0 °C(Predicted)
[density ]

1.367±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.66±0.10(Predicted)
[color ]

White to Off-White
[biological source]

synthetic
[Water Solubility ]

>21.55 mg/mL in Water with ultrasonic;
[Stability:]

Hygroscopic
[Major Application]

peptide synthesis
[InChI]

1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
[InChIKey]

KSPQDMRTZZYQLM-UHFFFAOYSA-N
[SMILES]

OC(=O)CNC(=O)c1ccco1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

2
[RTECS ]

MC0555300
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Furoylglycine is an intermediate used to prepare non-nucleoside inhibitors of HCV NS5b RNA polymerase. It is also used in the synthesis of benzimidazolylazabicyclooctylethylpiperidines as Ccr5 antagonists for the treatment of HIV infection.
[Definition]

ChEBI: N-(2-furoyl)glycine is a glycine derivative that is the carboxamide obtained by the formal condensation of the amino group of glycine with 2-furoic acid. It has a role as a human metabolite. It is a N-acylglycine and a member of furans. It is functionally related to a 2-furoic acid. It is a conjugate acid of a N-(2-furoyl)glycinate.
[IC 50]

Human Endogenous Metabolite; Microbial Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

N-(2-FUROYL)GLYCINE(5657-19-2)IR
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