CAS Number528-92-7
SynonymsAPRONALIDE; Allylisopropylacetylurea; Sedormid; Allylisopropylacetylcarbamide; Isopropylallylessigsaeure-ureid; (2-Isopropyl-4-pentenoyl)urea; 2-Isopropyl-pent-4-ensaeure-ureid; Allylisoprorylacetylurea; EINECS 208-443-3; Apronal; Isodormid
Molecular FormulaC9H16O2N2
Molecular Weight184.24
Purity98.00%
Density1.025g/cm3
Melting Point196 °C
AppearanceSolid;White to Almost white powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 528-92-7 |
| Catalog No. | 2A-9022537 |
| Chinese Name | 丙戊酰脲 |
| Synonyms | APRONALIDE; Allylisopropylacetylurea; Sedormid; Allylisopropylacetylcarbamide; Isopropylallylessigsaeure-ureid; (2-Isopropyl-4-pentenoyl)urea; 2-Isopropyl-pent-4-ensaeure-ureid; Allylisoprorylacetylurea; EINECS 208-443-3; Apronal; Isodormid |
| Molecular Formula | C9H16O2N2 |
| Molecular Weight | 184.24 |
| Purity | 98.00 |
| Density | 1.025g/cm3 |
| Melting Point | 196 °C |
| Appearance | Solid;White to Almost white powder to crystal |
| Water Solubility | Water solubility: soluble; soluble in: ether, alco |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| Application | Apronal (Allylisopropylacetylurea, Apronalide) is a hypnotic and sedative drug that has been withdrawn from the market in some countries due to side effects. |
| HTC | 2924210090 |
| MDL Number | MFCD00210239 |
| SMILES | C=CCC(C(=O)NC(N)=O)C(C)C |
| InChI | InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13) |
| InChI Key | KSUUMAWCGDNLFK-UHFFFAOYSA-N |
| MSDS | msds/22537_1_528_92_7.pdf |
| Use of | Apronal (Allylisopropylacetylurea, Apronalide) is a hypnotic and sedative drug that has been withdrawn in several countries due to side effects. Properties Name N-carbamoyl-2-propan-2-ylpent-4-enamide Synonym More Synonyms Apronal Biological Activity Description Apronal (Allylisopropylacetylurea, Apronalide) is a hypnotic and sedative drug that has been withdrawn in several countries due to side effects. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease In Vivo Research shows that allylisopropylacetylurea not only increases the amount of porphyrins in the liver and urine of animals but also brings about a marked green pigmentation of the liver. Rats recover well from long-term treatment with high doses of allylisopropylacetylurea and revert to normal values for parameters measured. Lesions originated by long-term administration with allylisopropylacetylurea can be tolerated by rats and are reversible[1]. Fixed drug eruption and mucocutaneous ocular syndrome are reported due to apronal[2]. References [1]. Rentsch G, et al. The effect of prolonged administration of allylisopropylacetylurea to rats on cytochrome P-450 and other liver haemoproteins. Xenobiotica. 1976 Mar;6(3):151-7. Chemical & Physical Properties Molecular Formula C9H16N2O2 Exact Mass 184.12100 PSA 72.19000 LogP 2.12080 Index of Refraction 1.474 InChIKey KSUUMAWCGDNLFK-UHFFFAOYSA-N SMILES C=CCC(C(=O)NC(N)=O)C(C)C Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Urea, (2-isopropyl-4-pentenoyl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H16-N2-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : ZVMVY2U1&Y1&1 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 : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 23,788,1934 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 : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DMWOAX Deutsche Medizinische Wochenschrift. (Stuttgart, Fed. Rep. Ger.) V.1-104, 1875-1979. Volume(issue)/page/year: 54,1166,1928 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DMWOAX Deutsche Medizinische Wochenschrift. (Stuttgart, Fed. Rep. Ger.) V.1-104, 1875-1979. Volume(issue)/page/year: 54,1166,1928 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DMWOAX Deutsche Medizinische Wochenschrift. (Stuttgart, Fed. Rep. Ger.) V.1-104, 1875-1979. Volume(issue)/page/year: 54,1166,1928 Safety Information HS Code 2924210090 Synthetic Route aprobarbital CAS#:77-02-1 CAS#:528-92-7 Literature: Hoffmann-La Roche Patent: DE459903 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 15, p. 1478 cyanic acid CAS#:420-05-3 Allylisopropyla... CAS#:299-78-5 CAS#:528-92-7 Literature: Riedel,J.D. Patent: DE461814 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 2476 allyl-isopropyl... CAS#:99167-88-1 CAS#:528-92-7 |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2924210090 other ureines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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