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| CAS No.: | 67330-25-0 |
|---|---|
| Name: | ufenamate |
| Molecular Structure: | |
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|
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| Formula: | C18H18 F3 N O2 |
| Molecular Weight: | 337.342 |
| Synonyms: | Butylflufenamate; Combec; Fenazol; Flufenamic acid butyl ester; HF 264; Ufenamate |
| Density: | 1.22g/cm3 |
| Boiling Point: | 394.3oC at 760 mmHg |
| Flash Point: | 192.2oC |
| Safety: | Moderately toxic by ingestion and other routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F− and NOx. See also ESTERS. |
| PSA: | 38.33000 |
| LogP: | 5.47890 |
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| Conditions | Yield |
|---|---|
| With ethylenediamine In methanol | 30% |
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Chemistry
Chemistry informtion about Butyl Flufenamate(CAS NO.67330-25-0) is:
IUPAC Name: butyl 2-[3-(trifluoromethyl)anilino]benzoate
Synonyms: Ufenamate ; Butyl Flufenamate ; 2-[[3-(Trifluoromethyl)Phenyl]Amino]Benzoic Acid Butyl Ester ; Butyl Fulfenamate ; Hf-264 ; O-(M-Trifluoromethylanilino)Benzoic Acid Butyl Ester
Molecular Weight: 337.33623 [g/mol]
Molecular Formula: C18H18F3NO2
XLogP3: 6.8
H-Bond Donor: 1
H-Bond Acceptor: 6
EINECS: 207-332-7
Density: 1.22 g/cm3
Flash Point: 192.2 °C
Enthalpy of Vaporization: 64.43 kJ/mol
Boiling Point: 394.3 °C at 760 mmHg
Vapour Pressure: 2.01E-06 mmHg at 25°C
Following is the molecular structure of Butyl Flufenamate(CAS NO.67330-25-0) is:
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| dog | LD50 | oral | > 16gm/kg (16000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. | |
| dog | LD50 | skin | > 1gm/kg (1000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. | |
| dog | LD50 | subcutaneous | 9300mg/kg (9300mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| mouse | LD50 | intraperitoneal | 4100mg/kg (4100mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| mouse | LD50 | intravenous | 610mg/kg (610mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| mouse | LD50 | oral | 3100mg/kg (3100mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| mouse | LD50 | skin | > 3gm/kg (3000mg/kg) | Drugs in Japan Vol. -, Pg. 160, 1990. | |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Drugs in Japan Vol. -, Pg. 160, 1990. | |
| rabbit | LD50 | intraperitoneal | 11500mg/kg (11500mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| rabbit | LD50 | oral | 4800mg/kg (4800mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| rabbit | LD50 | skin | > 4gm/kg (4000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. | |
| rabbit | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. | |
| rat | LD50 | intraperitoneal | 4550mg/kg (4550mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| rat | LD50 | intravenous | 650mg/kg (650mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| rat | LD50 | oral | 510mg/kg (510mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 18, Pg. 845, 1979. |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 160, 1990. | |
| rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 197, 1995. |
Safety Profile
Moderately toxic by ingestion and other routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F− and NOx. See also ESTERS.
Specification
Descriptors Computed from Structure about Butyl Flufenamate(CAS NO.67330-25-0) is:
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F
InChI: InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3
InChIKey: JDLSRXWHEBFHNC-UHFFFAOYSA-N