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| CAS No.: | 469-79-4 |
|---|---|
| Name: | ketobemidone |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C15H21NO2 |
| Molecular Weight: | 247.337 |
| Synonyms: | 1-Propanone,1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]- (6CI,7CI,8CI);1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone;4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl ethyl ketone;A 21 Lundbeck;Cetobemidon;Cetobemidone;Ciba 7115;Cliradon;Cliradone;K 4710;Ketobemidone;NSC 117863;1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone;1-[4-(3-Hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;1-[4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone;1-Propanone, 1-[4- (3-hydroxyphenyl)-1-methyl-4-piperidinyl]-;1-propanone, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]-;1-Propanone, 1-[4-(m-hydroxyphenyl)-1-methyl-4-piperidyl]-; |
| EINECS: | 207-421-0 |
| Density: | 1.092 g/cm3 |
| Melting Point: | 156-157° |
| Boiling Point: | 391.3 °C at 760 mmHg |
| Flash Point: | 190.4 °C |
| PSA: | 40.54000 |
| LogP: | 2.27260 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
The Ketobemidone, with the CAS registry number 469-79-4 and EINECS registry number 207-421-0, has the systematic name and IUPAC name of 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one. The molecular formula of this chemical is C15H21NO2. What's more, it is a powerful opioid analgesic, and used for all types of severe pain, such as postoperative, cancer, kidney stones and fractures.
The physical properties of Ketobemidone are as following:
(1)ACD/LogP: 0.804; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): 0.40; (5)ACD/BCF (pH 5.5):1.00; (6)ACD/BCF (pH 7.4):1.00; (7)ACD/KOC (pH 5.5):1.00; (8)ACD/KOC (pH 7.4):25.69; (9)#H bond acceptors:3; (10)#H bond donors:1; (11)#Freely Rotating Bonds:4; (12)Index of Refraction:1.544; (13) Molar Refractivity:71.402 cm3; (14)Molar Volume:226.31 cm3; (15)Polarizability:28.306 10-24cm3; (16)Surface Tension:42.4739990234375 dyne/cm; (17)Density:1.093 g/cm3; (18)Flash Point:190.441 °C; (19)Enthalpy of Vaporization:66.591 kJ/mol; (20)Boiling Point:391.283 °C at 760 mmHg; (21)Vapour Pressure:0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(C2(c1cccc(O)c1)CCN(C)CC2)CC;
(2)Std. InChI:InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3;
(3)Std. InChIKey:ALFGKMXHOUSVAD-UHFFFAOYSA-N.
The toxicity data of Ketobemidone is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 14mg/kg (14mg/kg) | Science. Vol. 104, Pg. 587, 1946. | |
| rat | LD50 | intravenous | 10mg/kg (10mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 7, Pg. 196, 1952. |