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Diosmin(CAS No. 520-27-4)

Diosmin C28H32O15 (cas 520-27-4) Molecular Structure

520-27-4 Structure

Identification and Related Records

【Name】
Diosmin
【Iupac name】
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,
5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,
5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
【CAS Registry number】
520-27-4
【Synonyms】
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy- R-L-mannopyranosyl)-a-D-glucopyranosyl]- oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
Diosmetin 7-O-rutinoside
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-
Diosmine [INN-French]
Diosminum [INN-Latin]
Diosmine
Venosmine
Diosmin Inn
【EINECS(EC#)】
208-289-7
【Molecular Formula】
C28H32O15 (Products with the same molecular formula)
【Molecular Weight】
608.54
【Inchi】
InChI=1/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
【Canonical SMILES】
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
【Isomers smiles】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H]
(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
【MOL File】
520-27-4.mol

Chemical and Physical Properties

【Appearance】
Greyish-yellow or light yellow hygroscopic powder
【Density】
1.68 g/cm3
【Melting Point】
277-278 °C
【Boiling Point】
926.8 °C at 760 mmHg
【Refractive Index】
1.711
【Flash Point】
305.2 °C
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:608.54468 [g/mol]
Molecular Formula:C28H32O15
XLogP3-AA:-0.8
H-Bond Donor:8
H-Bond Acceptor:15
Rotatable Bond Count:7
Tautomer Count:15
Exact Mass:608.17412
MonoIsotopic Mass:608.17412
Topological Polar Surface Area:234
Heavy Atom Count:43
Formal Charge:0
Complexity:995
Isotope Atom Count:0
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:13
Feature 3D Donor Count:8
Feature 3D Ring Count:5
Effective Rotor Count:9.4
Conformer Sampling RMSD:1.4
CID Conformer Count:279

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Safety】

Hazard Codes: IrritantXi
WGK Germany: 3
Risk Statements:?36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:?26-36-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S36/37:Wear suitable protective clothing and gloves.

【Specification】

Mechanisms of? Diosmin (CAS NO.520-27-4):
1、Diosmin improves lymphatic drainage by increasing the frequency and intensity of lymphatic contractions, and by increasing the total number of functional lymphatic capillaries.
2、Diosmin prolongs the vasoconstrictor effect of noradrenaline on the vein wall, increasing venous tone, and therefore reducing venous capacitance, distensibility, and stasis.
3、Furthermore, diosmin with hesperidine decreases the diameter of lymphatic capillaries and the intralymphatic pressure
4、At the microcirculation level, diosmin reduces capillary hyperpermeability and increases capillary resistance by protecting the microcirculation from damaging processes.

【Report】

?Diosmin (CAS NO.520-27-4) is reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】

Naturally occurring flavonic glycoside; rhamnoglycoside of Diosmetin. Capillary protectant

Biomedical Effects and Toxicity

【Therapeutic Uses】
Naturally occurring flavonic glycoside; rhamnoglycoside of Diosmetin. Capillary protectant

Supplier Location

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