| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4171-13-5 |
| Catalog No. | 2A-9030622 |
| Chinese Name | 戊诺酰胺 |
| Synonyms | 2-ethyl-3-methylpentanamide; Valnoctamide |
| Molecular Formula | C8H17NO |
| Molecular Weight | 143.23 |
| Purity | ≥98 (NMR) |
| Density | 0.883g/cm3 |
| Boiling Point | 274.4ºC at 760mmHg |
| Melting Point | 113.5-114ºC |
| Appearance | powder |
| Application | Valnoctamide (Valmethamide) is a derivative of Valproate and is used to treat epilepsy that is resistant to benzodiazepines. Valnoctamide (Valmethamide) acts directly on GABAA receptors. |
| HTC | 2924199090 |
| PubChem ID | 329829054 |
| MDL Number | MFCD00868184 |
| SMILES | CCC(C)C(CC)C(N)=O |
| InChI | 1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10) |
| InChI Key | QRCJOCOSPZMDJY-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/30622_1_4171_13_5.pdf |
| Use of | Valnoctamide (Valmethamide), a derivative of valproate, suppresses benzodiazepine-refractory status epilepticus. Valnoctamide (Valmethamide) acts directly on GABAA receptors[1]. Properties Articles23 Name 2-ethyl-3-methyl-pentanamide Axiquel Nirvanil Synonym More Synonyms Valnoctamide Biological Activity Description Valnoctamide (Valmethamide), a derivative of valproate, suppresses benzodiazepine-refractory status epilepticus. Valnoctamide (Valmethamide) acts directly on GABAA receptors[1]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor Research Areas >> Neurological Disease Signaling Pathways >> Neuronal Signaling >> GABA Receptor GABAA receptor[1] References [1]. Spampanato J, et al. Valnoctamide enhances phasic inhibition: a potential target mechanism for the treatment of benzodiazepine-refractory status epilepticus. Epilepsia. 2014 Sep;55(9):e94-8. Chemical & Physical Properties Molecular Formula C8H17NO Exact Mass 143.13100 PSA 43.09000 LogP 2.24430 Index of Refraction 1.438 InChIKey QRCJOCOSPZMDJY-UHFFFAOYSA-N SMILES CCC(C)C(CC)C(N)=O Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Valeramide, 2-ethyl-3-methyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C8-H17-N-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : 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 : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 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 : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,404,1966 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 : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-12 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - abortion REFERENCE : CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 159,6,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-8 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 159,6,1965 Safety Information Signal Word Warning Hazard Statements H302 RIDADR NONH for all modes of transport RTECS YV5950000 HS Code 2924199090 Synthetic Route 2-ethyl-3-methy... CAS#:82024-15-5 Valnoctamide CAS#:4171-13-5 Literature: Kaufmann, Dan; Bialer, Meir; Shimshoni, Jakob Avi; Devor, Marshall; Yagen, Boris Journal of Medicinal Chemistry, 2009 , vol. 52, # 22 p. 7236 - 7248 Butabarbital CAS#:125-40-6 Valnoctamide CAS#:4171-13-5 Literature: Freifelder,M. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 203 - 206 3-Methylvaleric Acid CAS#:105-43-1 Valnoctamide CAS#:4171-13-5 Literature: Kaufmann, Dan; Yagen, Boris; Minert, Anne; Wlodarczyk, Bogdan; Finnell, Richard H.; Schurig, Volker; Devor, Marshall; Bialer, Meir Neuropharmacology, 2010 , vol. 58, # 8 p. 1228 - 1236 Precursor & DownStream Precursor 5 CAS#:82024-15-5 2-ethyl-3-methy... CAS#:125-40-6 Butabarbital CAS#:105-43-1 3-Methylvaleric Acid CAS#:22414-77-3 2-ethyl-3-methy... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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