Basic information
- CAS
77536-60-8- Standard SMILES
CC(C)NC(C)C.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.O=C(O)C(Cl)Cl.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12- InChIKey
HPGJKCGGBIJYGJ-XOBSOOINSA-N- Molecular formula
- C83H99Cl2NO44
- Average molar mass
- 1,885.6 g/mol
- Monoisotopic mass
- 1,883.4917008
Overview
for treatment of thrombophlebitis; contains diisopropylammonium dichloroacetate, troxerutin, quercetin & hesperidin
Names & identifiers
- Preferred name
- Fleboplex
- IUPAC
- 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;2,2-dichloroacetic acid;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;N-propan-2-ylpropan-2-amine
Names & synonyms
Fleboplex77536-60-8RefChem:140681
Database identifiers
- CAS
77536-60-8- PubChem CID
- 129010909
Properties
Computed structural properties
- Topological polar surface area
- 736 Ų
- Hydrogen bond donors
- 27
- Hydrogen bond acceptors
- 45
- Rotatable bonds
- 25
- Heavy atoms
- 130
- Formal charge
- 0
- Complexity
- 2,780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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