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Quercetin dihydrate

Quercetin dihydrate structure

CAS No:
6151-25-3
Formula:
C15H10O7.2H2O
Chemical Name:
Quercetin dihydrate
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,hydrate (1:2);Flavone,3,3′,4′,5,7-pentahydroxy-,dihydrate;4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,dihydrate;Quercetin dihydrate;3,3′,4′,5,7-Pentahydroxyflavone dihydrate;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
Categories:
Active Pharmaceutical Ingredients > Respiratory Drugs

Description

Quercetin (dihydrate), a natural flavonoid, is a stimulator of recombinant SIRT1 and a PI3K inhibitor with IC50s of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].

Quercetin dihydrate Basic Attributes

Molecular Weight：

338.26600

Exact Mass：

338.06400

EC Number：

612-158-3

HScode：

2918290000

Characteristics

PSA：

149.82000

XLogP3：

1.85940

Appearance：

Yellow solid.

Density：

1.680 g/cm³

Melting Point：

300ºC

Boiling Point：

642.4ºC at 760 mmHg

Water Solubility：

Practically insoluble in water

Storage Conditions：

Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.

Toxicity：

LD50 orally in mice: 160 mg/kg (Sullivan)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811

wgk germany：

hazard class code：

R25

safety instructions：

S45

RTECS Number：

LK8950000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

Missing Phrase - N15.00950417

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory.

Quercetin dihydrate Use and Manufacturing

Bioflavonoid that provides relieve from chronic pelvic pain syndrome in men.This product has a good effect of expectorant and cough, and has a certain antiasthmatic effect. In addition, it has the functions of lowering blood pressure, enhancing capillary resistance, reducing capillary fragility, lowering blood fat, dilating coronary arteries, and increasing coronary blood flow. Used to treat chronic bronchitis. It also has adjuvant therapy for patients with coronary heart disease and hypertension.

Computed Properties

Molecular Weight:320.25
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:320.05321734
Monoisotopic Mass:320.05321734
Topological Polar Surface Area:128
Heavy Atom Count:23
Complexity:488
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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