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5657-19-2

5657-19-2 structure
5657-19-2 structure

Name 2-(furan-2-carbonylamino)acetic acid
Synonyms 2-Furoylglycine
GLYCINE,N-2-FUROYL
Furfuroylglycine
Furoylglycine
MFCD00030606
Pyromucuric acid
Glycine,1-furoyl
Description 2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1].
Related Catalog
Target

Human Endogenous Metabolite

In Vitro 2-Furoylglycine is an intermediate that can be used in the synthesis of non-nucleoside inhibitors of HCV NS5b RNA polymerase[2].
References

[1]. Silke S Heinzmann, et al. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21.

[2]. Stephen S Antonysamy, et al. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5.

Density 1.28g/cm3
Boiling Point 440.6ºC at 760 mmHg
Melting Point 163-165ºC(lit.)
Molecular Formula C7H7NO4
Molecular Weight 169.13500
Flash Point 220.3ºC
Exact Mass 169.03800
PSA 79.54000
LogP 0.48490
Index of Refraction 1.676

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MC0555300
CHEMICAL NAME :
Glycine, N-2-furoyl-
CAS REGISTRY NUMBER :
5657-19-2
BEILSTEIN REFERENCE NO. :
0142378
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H7-N-O4
MOLECULAR WEIGHT :
169.15
WISWESSER LINE NOTATION :
T5OJ BVM1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
865 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS MC0555300
HS Code 2932190090
HS Code 2932190090
Summary 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%