CAS 4171-13-5|Valnoctamide

Introduction:Basic information about CAS 4171-13-5|Valnoctamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameValnoctamide
CAS Number4171-13-5Molecular Weight143.22700
Density0.883g/cm3Boiling Point274.4ºC at 760mmHg
Molecular FormulaC8H17NOMelting Point113.5-114ºC
MSDSChineseUSAFlash Point119.8ºC
Symbol
GHS07
Signal WordWarning

Names

Name2-ethyl-3-methyl-pentanamide Axiquel Nirvanil
SynonymMore Synonyms

Valnoctamide BiologicalActivity

DescriptionValnoctamide (Valmethamide), a derivative of valproate, suppresses benzodiazepine-refractory status epilepticus. Valnoctamide (Valmethamide) acts directly on GABAA receptors[1].
Related CatalogSignaling Pathways >>Membrane Transporter/Ion Channel >>GABA ReceptorResearch Areas >>Neurological DiseaseSignaling Pathways >>Neuronal Signaling >>GABA Receptor
Target

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

Density0.883g/cm3
Boiling Point274.4ºC at 760mmHg
Melting Point113.5-114ºC
Molecular FormulaC8H17NO
Molecular Weight143.22700
Flash Point119.8ºC
Exact Mass143.13100
PSA43.09000
LogP2.24430
Index of Refraction1.438
InChIKeyQRCJOCOSPZMDJY-UHFFFAOYSA-N
SMILESCCC(C)C(CC)C(N)=O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV5950000
CHEMICAL NAME :
Valeramide, 2-ethyl-3-methyl-
CAS REGISTRY NUMBER :
4171-13-5
BEILSTEIN REFERENCE NO. :
1749434
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H17-N-O
MOLECULAR WEIGHT :
143.26
WISWESSER LINE NOTATION :
ZVY2&Y2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
760 mg/kg
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 :
580 mg/kg
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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
999 mg/kg
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 :
540 mg/kg
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 :
Oral
DOSE :
700 mg/kg
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 :
Oral
DOSE :
600 mg/kg
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

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
RIDADRNONH for all modes of transport
RTECSYV5950000
HS Code2924199090

Customs

HS Code2924199090
Summary2924199090. 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%

Articles23

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Synonyms

2-ethyl-3-methylpentanamide
Valnoctamide
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