CAS Number10457-90-6
SynonymsMFCD00866670; 4-(4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one; EINECS 233-943-3; 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular FormulaC21H23BrFNO2
Molecular Weight420.32
Purity98%
Density1.366 g/cm3
Boiling Point543.6ºC at 760 mmHg
Melting Point156-158ºC
AppearanceYellow brown solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10457-90-6 |
| Catalog No. | 2A-9009455 |
| Chinese Name | 溴哌利多 |
| Synonyms | MFCD00866670; 4-(4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one; EINECS 233-943-3; 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| Molecular Formula | C21H23BrFNO2 |
| Molecular Weight | 420.32 |
| Purity | 98 |
| Density | 1.366 g/cm3 |
| Boiling Point | 543.6ºC at 760 mmHg |
| Melting Point | 156-158ºC |
| Appearance | Yellow brown solid |
| Water Solubility | H2O: insoluble |
| Storage Condition | The warehouse is ventilated and dried at low tempe |
| Application | Bromperidol, a butyrophenone derivative, is a potent and long-acting antipsychotic drug used to treat schizophrenia. |
| HTC | 2933399090 |
| PubChem ID | 329773171 |
| MDL Number | MFCD00866670 |
| SMILES | BrC(C=C1)=CC=C1C(CC2)(O)CCN2CCCC(C3=CC=C(F)C=C3)=O |
| InChI | 1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 |
| InChI Key | RKLNONIVDFXQRX-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/9455_1_10457_90_6.pdf |
| Use of | Bromperidol is a butyrophenone derivative, is a potent and long-acting neuroleptic, used as an antipsychotic in the treatment of schizophrenia. Properties Articles27 Name Bromperidol Synonym More Synonyms Bromperidol Biological Activity Description Bromperidol is a butyrophenone derivative, is a potent and long-acting neuroleptic, used as an antipsychotic in the treatment of schizophrenia. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease Chemical & Physical Properties Molecular Formula C21H23BrFNO2 Exact Mass 419.09000 PSA 40.54000 LogP 4.47260 Index of Refraction 1.59 InChIKey RKLNONIVDFXQRX-UHFFFAOYSA-N Water Solubility H2O: insoluble Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Butyrophenone, 4-(4-(p-bromophenyl)-4-hydroxypiperidino)-4'-fluoro- CAS REGISTRY NUMBER : 10457-90-6 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C21-H23-Br-F-N-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6NTJ A3VR DF& DQ DR DE HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,45,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,1461,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,45,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,1461,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,1461,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,1461,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,45,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 18900 ug/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 24,45,1974 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : male 35 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 15,906,1984 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 35 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 15,906,1984 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : REFERENCE : JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 9(Suppl 1),109,1984 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : 16500 ug/kg SEX/DURATION : female 7-17 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - physical REFERENCE : JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 9(Suppl 1),109,1984 Safety Information Signal Word Warning Hazard Statements H302 Precautionary Statements P301 + P312 + P330 Hazard Codes Xn Risk Phrases 22 RIDADR NONH for all modes of transport WGK Germany 3 RTECS EU1180000 HS Code 2933399090 Synthetic Route Total: 1 Page 4-[4-hydroxy-4-... CAS#:114361-10-3 Bromperidol CAS#:10457-90-6 Literature: Vincent; Shambhu; Digenis Journal of medicinal chemistry, 1980 , vol. 23, # 1 p. 75 - 79 4-<4-<4-(trimet... CAS#:97042-48-3 Bromperidol CAS#:10457-90-6 Literature: Moerlein, Stephen M.; Stoecklin, Gerhard L. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1319 - 1324 Precursor & DownStream Precursor 1 CAS#:114361-10-3 4-[4-hydroxy-4-... DownStream 1 CAS#:366-77-8 3-(4-Fluorobenz... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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