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| CAS No.: | 552-66-9 |
|---|---|
| Name: | Daidzin |
| Molecular Structure: | |
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| Formula: | C21H20O9 |
| Molecular Weight: | 416.384 |
| Synonyms: | 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Daidzein 7-glucoside;7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one;4H-1-Benzopyran-4-one,7-(a-Dglucopyranosyloxy)- 3-(4-hydroxyphenyl)-;Daidzoside;daidzein 7-O-beta-D-glucoside;Daidzein 7-O-glucoside;3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-; |
| Density: | 1.573 g/cm3 |
| Melting Point: | 234-236 °C |
| Boiling Point: | 727.558 °C at 760 mmHg |
| Flash Point: | 259.792 °C |
| Appearance: | White powder |
| Safety: | 24/25 |
| PSA: | 149.82000 |
| LogP: | 0.34430 |
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| Conditions | Yield |
|---|---|
| In hydrogenchloride |
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Chemistry
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IUPAC Name: 3-(4-Hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight: 416.3781 [g/mol]
Molecular Formula: C21H20O9
XLogP3-AA: 0.7
H-Bond Donor: 5
H-Bond Acceptor: 9
Index of Refraction: 1.695
Molar Refractivity: 101.795 cm3
Molar Volume: 264.784 cm3
Surface Tension: 82.778 dyne/cm
Density: 1.573 g/cm3
Flash Point: 259.792 °C
Enthalpy of Vaporization: 111.502 kJ/mol
Boiling Point: 727.558 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Alpha: -24 °(C=0.1g/100ml,dimethylsulfoxide)
Appearance: White Powder
Melting Point: 234-236 °C
Classification Code of Daidzin (CAS NO.552-66-9): Alcohol deterrents; Central Nervous System Agents; Drug / Therapeutic Agent; Enzyme inhibitors
Product Categories: pharmacetical; The group of Daidzin; Intermediates & Fine Chemicals; Pharmaceuticals
Uses
Daidzin (CAS NO.552-66-9) is a cancer preventive and an alcohol dependency treatment (antidipsotropic) in animal models.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979. |
Safety Profile
WGK Germany: 3
RTECS: DJ3094000
F of Daidzin (CAS NO.552-66-9): 10
F10: Keep under argon.
Specification
Daidzin (CAS NO.552-66-9), its Synonyms are Daidzein 7-O-glucoside ; Daidzein 7-glucoside ; 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ; Daidzoside ; 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)- .