Troxerutin (85%)

CAT: 0572-TRC-T893200-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T893200-50MGSize:50 mg

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CAS Number

7085-55-4

Synonyms

2-[3,4-Bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one; 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside]; 3,5-Dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-rutinoside; 3',4',7-Tri-O-(β-hydroxyethyl)rutoside; 3',4',7-Tris(hydroxyethyl)rutin; Factor P-Zyma; Posorutin; Rufen-P4; Ruven; THR; TriHER; Trioxyethylrutin; Tris(hydroxyethyl)rutin; Tris(hydroxyethyl)rutoside; Tris-O-(2-hydroxyethyl)rutin; Tris-O-(β-hydroxyethyl)rutoside; Troxerutin; Troxerutine; Troxevazin; Vastribil; Veinamitol; Veniten; Venoruton P4; Vitamin P4; Z 6000

Hazard Statement

Causes skin irritation

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Molecular Formula

C33 H42 O19

Molecular Weight

742.68

InChI

InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1

Additionnal Information

IUPAC name: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(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

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Troxerutin

Troxerutin has been used in trials studying the treatment of Chronic Venous Insufficiency.

CAS Number	7085-55-4
PubChem CID	5486699
IUPAC Name	2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(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
Molecular Formula	C33H42O19
Molecular Weight	742.7
XLogP	-2.4
Topological Polar Surface Area	293
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Heavy Atom Count	52
Formal Charge	0
Complexity	1170

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=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O

InChI

InChIKey

IYVFNTXFRYQLRP-VVSTWUKXSA-N

Chemical Structure

2D Structure

CAS: 7085-55-4

CID: 5486699

Formula: C33H42O19

MW: 742.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	742.7
XLogP3	-2.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	15
Exact Mass	742.23202911
Monoisotopic Mass	742.23202911
Topological Polar Surface Area	293 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1170
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
Compound Is Canonicalized	Yes

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Catalog	Name
RM-T181700-01	Troxerutin
HY-N0139R-01	Troxerutin (Standard)
sc-475762	Troxerutin-d12

Troxerutin (85%)

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