CAS Number366-79-0
Synonyms(4-Fluoro-benzoylamino)-acetic acid; n-(4-fluorobenzoyl)glycine; 2-(4-fluorobenzamido)acetic acid; 4-fluoro-hippuric acid; 4-Fluorohippuric acid; 4-fluorobenzoylglycine; p-fluoro hippuric acid; para-fluorohippurate; 2-[(4-fluorophenyl)carbonylamino]acetic acid; N-(4-Fluorbenzoyl)glycin
Molecular FormulaC9H9O2F1
Molecular Weight197.16
Density1.358g/cm3
Boiling Point427.7ºC at 760 mmHg
Melting Point173 °C
AppearanceSolid;White to Almost white powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 366-79-0 |
| Catalog No. | 2A-1191172 |
| Chinese Name | 4-氟马尿酸 |
| Synonyms | (4-Fluoro-benzoylamino)-acetic acid; n-(4-fluorobenzoyl)glycine; 2-(4-fluorobenzamido)acetic acid; 4-fluoro-hippuric acid; 4-Fluorohippuric acid; 4-fluorobenzoylglycine; p-fluoro hippuric acid; para-fluorohippurate; 2-[(4-fluorophenyl)carbonylamino]acetic acid; N-(4-Fluorbenzoyl)glycin |
| Molecular Formula | C9H9O2F1 |
| Molecular Weight | 197.16 |
| Density | 1.358g/cm3 |
| Boiling Point | 427.7ºC at 760 mmHg |
| Melting Point | 173 °C |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | room temperature, dry |
| Application | 4-Fluorohippuric acid is the main metabolite of flupiridine and has research potential against pain and epilepsy [1]. |
| HTC | 2924299090 |
| PubChem ID | 3203144 |
| MDL Number | MFCD03094329 |
| SMILES | O=C(O)CNC(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C9H8FNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1 |
| InChI Key | NVWXSGQHHUSSOU-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| Hazard Symbols | transportation |
| Bioactivity | 4-Fluorohippuric acid is a major metabolite of flupirtine with research potential against pain and epilepsy[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease References [1]. Beirow K, et al. Structure-Activity Relationships of Flupirtine Analogues for Liver Esterase-Mediated Cleavage of the 4-Fluorobenzylamine Moiety and Its Possible Relevance to Liver Toxicity. ChemMedChem. 2023 Jul 17;18(14):e202300145. Chemical & Physical Properties Density 1.358g/cm3 Boiling Point 427.7ºC at 760 mmHg Melting Point 173 °C Molecular Formula C9H8FNO3 Molecular Weight 197.16 Flash Point 212.5ºC Exact Mass 197.04900 PSA 66.40000 LogP 1.03100 InChIKey NVWXSGQHHUSSOU-UHFFFAOYSA-N SMILES O=C(O)CNC(=O)c1ccc(F)cc1 |
| Use of | 4-Fluorohippuric acid is a major metabolite of flupirtine with research potential against pain and epilepsy[1]. Properties Name 2-[(4-fluorobenzoyl)amino]acetic acid Synonym More Synonyms (4-ETHYLPHENYL)ACETALDEHYDE Biological Activity Description 4-Fluorohippuric acid is a major metabolite of flupirtine with research potential against pain and epilepsy[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease References [1]. Beirow K, et al. Structure-Activity Relationships of Flupirtine Analogues for Liver Esterase-Mediated Cleavage of the 4-Fluorobenzylamine Moiety and Its Possible Relevance to Liver Toxicity. ChemMedChem. 2023 Jul 17;18(14):e202300145. Chemical & Physical Properties Molecular Formula C9H8FNO3 Exact Mass 197.04900 PSA 66.40000 LogP 1.03100 InChIKey NVWXSGQHHUSSOU-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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