Basic information
- Name:
Pentanoic acid,2-propyl-, sodium salt (1:1)
- Superlist Name:
- Sodium 2-propylpentanoate
- CAS No.:
1069-66-5
- Molecular Structure:

- Formula:
- C8H15NaO2
- Synonyms:
- Pentanoicacid, 2-propyl-, sodium salt (9CI);Valeric acid, 2-propyl-, sodium salt(7CI,8CI);Acediprol;Convulex;Depacon;Depakene;Depakene R;Depakene syrup8;Depakin;Depakine chronosphere;Dipropylacetate sodium;Epilim;KW 6066N;Micropakine LP;Orfiril;Selenica R;Sodium 2-propylpentanoate;Sodium2-propylvalerate;Sodium bispropylacetate;Sodium dipropylacetate;Sodiumvalproate;Sodium a,a-dipropylacetate;Valerin;Valproate sodium;Valpron;Vupral;2-Propylpentanoic acid sodium salt;
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Specification
The IUPAC name of Sodium valproate is sodium 2-propylpentanoate. With the CAS registry number 1069-66-5, it is also named as 2-Propylpentanoic acid sodium salt. The product's categories are Valproic acid Series; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine Receptor. Besides, it is white solid, which should be stored in sealed container in cool and dry place. In addition, its molecular formula is C8H15NaO2 and molecular weight is 166.19.
The other characteristics of Sodium valproate can be summarized as: (1)EINECS: 213-961-8; (2)ACD/LogP: 2.72; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.95; (5)ACD/LogD (pH 7.4): 0.16; (6)ACD/BCF (pH 5.5): 11.78; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 123.33; (9)ACD/KOC (pH 7.4): 2; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 37.3 Å2; (14)Density: g/cm3; (15)Flash Point: 116.6 °C; (16)Melting point: 300 °C; (17)Solubility: H2O: 50 mg/mL; (18)Enthalpy of Vaporization: 50.29 kJ/mol; (19)Boiling Point: 220 °C at 760 mmHg; (20)Vapour Pressure: 0.0435 mmHg at 25 °C.
Preparation and Uses of Sodium valproate: it can be produced by Diethyl malonate. Furthermore, this chemical is an anticonvulsant which can be used in the treatment of epilepsy and bipolar disorder.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye / face protection. Moreover, this product may cause harm to the unborn child. Please avoid exposure - obtain special instructions before use. And in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Additionally, in case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[O-]C(=O)C(CCC)CCC
(2)InChI:InChI=1/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
(3)InChIKey:AEQFSUDEHCCHBT-REWHXWOFAT
(4)Std. InChI:InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
(5)Std. InChIKey:AEQFSUDEHCCHBT-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intraperitoneal | 565mg/kg (565mg/kg) | Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 13, Pg. 81, 1977. | |
| child | LDLo | oral | 750mg/kg (750mg/kg) | BEHAVIORAL: COMA CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Lancet. Vol. 1, Pg. 221, 1984. |
| child | TDLo | oral | 1820mg/kg/12W (1820mg/kg) | BEHAVIORAL: SLEEP GASTROINTESTINAL: NAUSEA OR VOMITING | Lancet. Vol. 2, Pg. 1110, 1980. |
| dog | LD50 | intraperitoneal | 700mg/kg (700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| dog | LD50 | oral | 1420mg/kg (1420mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| guinea pig | LD50 | oral | 824mg/kg (824mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| hamster | LD50 | oral | 1740mg/kg (1740mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| infant | LDLo | oral | 250mg/kg/10D- (250mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS BLOOD: HEMORRHAGE | Archives of Disease in Childhood. Vol. 58, Pg. 543, 1983. |
| man | TDLo | oral | 17mg/kg (17mg/kg) | BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES LIVER: LIVER FUNCTION TESTS IMPAIRED BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Journal of Toxicology, Clinical Toxicology. Vol. 30, Pg. 209, 1992. |
| man | TDLo | oral | 214mg/kg/30D- (214mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" | Israel Journal of Medical Sciences. Vol. 30, Pg. 283, 1994. |
| mouse | LD50 | intramuscular | 832mg/kg (832mg/kg) | Biochemical Pharmacology. Vol. 22, Pg. 1701, 1973. | |
| mouse | LD50 | intraperitoneal | 470mg/kg (470mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| mouse | LD50 | intravenous | 750mg/kg (750mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 299, 1976. |
| mouse | LD50 | oral | 977mg/kg (977mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 71, 1990. | |
| mouse | LD50 | subcutaneous | 860mg/kg (860mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| mouse | LD50 | unreported | 1700mg/kg (1700mg/kg) | United States Patent Document. Vol. #3301754, | |
| rabbit | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 13, Pg. 81, 1977. | |
| rabbit | LD50 | oral | 1468mg/kg (1468mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 41, 1971. | |
| rat | LD50 | intraperitoneal | 970mg/kg (970mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979. |
| rat | LD50 | intravenous | 509mg/kg (509mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 1155, 1983. | |
| rat | LD50 | oral | 670mg/kg (670mg/kg) | British Journal of Pharmacology. Vol. 74, Pg. 957P, 1981. | |
| rat | LD50 | subcutaneous | 1029mg/kg (1029mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 41, 1971. | |
| women | TDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: SLEEP BEHAVIORAL: MUSCLE WEAKNESS | Postgraduate Medical Journal. Vol. 62, Pg. 409, 1986. |
| women | TDLo | oral | 1040mg/kg (1040mg/kg) | BRAIN AND COVERINGS: CHANGES IN SURFACE EEG BEHAVIORAL: COMA BLOOD: THROMBOCYTOPENIA | Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 279, 1995. |
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