4-Fluoro-3-iodobenzoic acid, 3-(dibutylamino)propyl ester, hydrochloride
CAS 455-80-1 MFCD00455801
化学结构图
SMILES: CCCCN(CCCC)CCCOC(=O)c1ccc(F)c(I)c1.Cl
化学属性
| Mol. Weight | 471.82 |
|---|---|
| Mol. Formula | C18H27FINO2.ClH |
别名和识别编码
| Wiswesser Line Notation | IR BF EVO3N4&4 &GH |
|---|---|
| Chemical Name | Dibutylaminopropyl 3-iodo-4-fluorobenzoate hydrochloride |
| Synonym | 4-Fluoro-3-iodobenzoic acid, 3-(dibutylamino)propyl ester, hydrochloride Hydrochloride of the di-n-butylaminopropyl 3-iodo-4-fluorobenzoate |
| CAS Number | 455-80-1 |
| PubChem Substance ID | 9969 |
| InChI | InChI=1S/C18H27FINO2.ClH/c1-3-5-10-21(11-6-4-2)12-7-13-23-18(22)15-8-9-16(19)17(20)14-15;/h8-9,14H,3-7,10-13H2,1-2H3;1H |
| InChIKey | HQMLPMDFUQGCBW-UHFFFAOYSA-N |
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安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,4,1950
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 55 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,4,1950
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