Troxerutin

Catalog	BBC7085554
CAS	7085-55-4
Structure
Description	Used in the treatment of venous disorders.
Synonyms	3,5-Dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-rutinoside
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 Weight	346.5
Molecular Formula	C22H34O3
Canonical 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	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
InChI Key	IYVFNTXFRYQLRP-VVSTWUKXSA-N
Boiling Point	1058.4±65.0 °C
Melting Point	181 °C
Flash Point	332ºC
Density	1.65±0.1 g/ml
Appearance	Powder
Active Content	95%
pKa	5.92±0.40
Refractive Index	1.689