Name: VALERENIC ACID
SKU: 3569-10-6

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Basic Information

Molecular Structure:
CAS No.:	3569-10-6
Name:	VALERENIC ACID
Article Data:	4

Formula:	C15H22 O2
Molecular Weight:	234.338
Synonyms:	2-Propenoicacid, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4a(E),7b,7aa]]-;Indene-4-acrylic acid, 2,4,5,6,7,7a-hexahydro-a,3,7-trimethyl- (7CI,8CI);Valerenic acid (6CI);Valerenic acid;64130-69-4;
Density:	1.06 g/cm³
Melting Point:	134-139°C
Boiling Point:	374.5 °C at 760 mmHg
Flash Point:	274.2 °C
Solubility:	Soluble in Ethanol
Appearance:	brown-yellow powder
Hazard Symbols:	A poison.
Safety:	A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	37.30000
LogP:	3.78990

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Chemistry

Chemical Name: VALERENIC ACID

CBNumber: CB3449648
Molecular Formula: C15H22O2
Formula Weight: 234.33
CAS No.: 3569-10-6
molecular structure:

Synonyms:VALERENIC ACID;VALERENIC ACID SNAP-N-SHOOT 0.1mg/mL(P);VALERENIC ACID(AHP);VALERENIC ACID WITH HPLC;(E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid
mp :134-139°C
storage temp:-20°C

Valerian is used as a herbal sedative which may be helpful in the treatment of insomnia. While the precise mechanism of this action has not been established and it is likely that several different components of the plant contribute to the effect, valerenic acid is thought to be at least partly responsible for the sedative effects.

Valerenic acid is a sesquiterpenoid constituent of the essential oil of the Valerian plant.

Valerenic acid has been demonstrated to be both a subtype-selective GABAA agonist acting mainly at α1β2 and α1β3 subtypes, and also a 5HT5A partial agonist. Both of these actions are likely to play a role in the sedative effects of this compound, as other GABAA agonists such as benzodiazepines are commonly used as sedative drugs, and while no selective 5HT5A agonists are currently used medically, the 5HT5A receptor is known to be highly expressed in the suprachiasmatic nucleus of the brain, which is believed to be involved in the sleep-wake cycle.

Valerenic acid has also been reported to be an NF-κB inhibitor, and may be partly responsible for the reported anti-inflammatory action of the valerian plant.

Toxicity Data With Reference

1.	ipr-mus TDLo:50 mg/kg	TCPHP* Toxicology and Clinical Pharmacology of Herbal Products Melanie Johns Cupp ed.,Humana press,2000,56.
2.	ipr-mus TDLo:100 mg/kg	TCPHP* Toxicology and Clinical Pharmacology of Herbal Products Melanie Johns Cupp ed.,Humana press,2000,57.
3.	ipr-mus TDLo:150 mg/kg	TCPHP* Toxicology and Clinical Pharmacology of Herbal Products Melanie Johns Cupp ed.,Humana press,2000,57.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

F 8 Photosensitive.
F 9 Keep under nitrogen.
F 10 Keep under argon