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| CAS No.: | 548-73-2 |
|---|---|
| Name: | DROPERIDOL |
| Molecular Structure: | |
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| Formula: | C22H22FN3O2 |
| Molecular Weight: | 379.434 |
| Synonyms: | 2-Benzimidazolinone,1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]- (8CI);1-(1-[4-(p-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone;1-[1-[3-(p-Fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-2-benzimidazolinone;Dehydrobenzperidol;Dridol;Droleptan;Inapsin;Inopsin;McN-JR 4749;NSC 169874;Neurolidol;R 4749;Sintodril;1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; |
| EINECS: | 208-957-8 |
| Density: | 1.269 g/cm3 |
| Melting Point: | 148-149 °C |
| Solubility: | 4.1mg/L(30 oC) |
| Appearance: | Pale yellow solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36 |
| Transport Information: | UN 3249 |
| PSA: | 58.10000 |
| LogP: | 3.61630 |
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- 548-73-2
droperidol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 1.5h; | 300 mg |
- 60373-72-0
1-(p-Fluorophenyl)-4-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-1-butanol
- 548-73-2
droperidol
| Conditions | Yield |
|---|---|
| In chloroform |
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History
It has a central antiemetic prevents postoperative nausea and vomiting in adults using doses as low as 0.625 mg,and as an intramuscular injection,an antipsychotic in doses ranging from 5 to 10 mg given. When use in intramuscular sedation has been replaced by intramuscular preparations of haloperidol, midazolam, clonazepam and olanzapine.
Specification
The Droperidol, with the CAS registry number 548-73-2 and EINECS registry number 208-957-8, has the systematic name of 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one. It is a kind of pale yellow solid, and belongs to the following product categories: Heterocyclic Compounds; Intermediates & Fine Chemicals; Pharmaceuticals. The molecular formula of this chemical is C22H22FN3O2. It is harmful if swallowed. Therefore, you had better wear suitable protective clothing while dealing with this chemical. What's more, it should be stored at 2-8 °C.
The physical properties of Droperidol are as following: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 2.44; (6)ACD/BCF (pH 7.4): 108.17; (7)ACD/KOC (pH 5.5): 17.22; (8)ACD/KOC (pH 7.4): 763.15; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.86 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 104.06 cm3; (15)Molar Volume: 298.7 cm3; (16)Polarizability: 41.25×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.269 g/cm3.
Preparation of Droperidol: It can be synthesized from 1-benzyl-3-carbethoxypiperidin-4-one, which is reacted with o-phenylendiamine. Under the reaction conditions, 1,5-benzdiazepine rearranges into 1-(1-benzyl-1,2,3,6-tetrahydro-4-piridyl)-2-benzymidazolone. Debenzylation of the resulting product with hydrogen over catalyst palladium, and subsequent alkylation of this using 4-chloro-4'-fluorobutyrophenone, and the yield is droperidol.
Uses of Droperidol: It is a D1, D2 dopamine receptor antagonist and used as butyrophenone antipsychotic and anti-emetic. It is also used for the treatment of neuroleptanalgesic anesthesia and sedation in intensive-care.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(=O)CCCN4C/C=C(/N3c2ccccc2NC3=O)CC4
(2)InChI: InChI=1/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
(3)InChIKey: RMEDXOLNCUSCGS-UHFFFAOYAS
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TDLo | oral | 223ug/kg/12D- (0.223mg/kg) | BEHAVIORAL: WAKEFULNESS BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 93, 1972. |
| man | TDLo | intravenous | 133ug/kg (0.133mg/kg) | BEHAVIORAL: COMA | Journal of Clinical Psychiatry. Vol. 47, Pg. 94, 1986. |
| mouse | LD | oral | > 160mg/kg (160mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 205, 1963. | |
| mouse | LD50 | intraperitoneal | 72mg/kg (72mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhonghua Mazuixue Zazhi. Chinese Journal of Anesthesiology. Vol. 5(2), Pg. 65, 1985. |
| mouse | LD50 | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 205, 1963. |
| mouse | LD50 | subcutaneous | 125mg/kg (125mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 63, 1964. | |
| rat | LD50 | intravenous | 30mg/kg (30mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 205, 1963. |
| rat | LD50 | oral | 750mg/kg (750mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
| rat | LD50 | subcutaneous | > 100mg/kg (100mg/kg) | Drugs in Japan Vol. 6, Pg. 533, 1982. |