Dihydroartemisinin mixture with piperaquine
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
Molecular Identity
Dihydroartemisinin mixture with piperaquine
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
PubChem CID: 11977455
2D Structure
Properties
C44H56Cl2N6O5
Molecular Formula
819.90
Molecular Weight
g/mol
818.3689
Exact Mass
Da
95.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
1070
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C.C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)ClIsomeric SMILES
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C.C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)ClSynonyms(13)
Duo-cotecxinDuocotexinEurartesimDHAPQDHA-PQDihydroartemisinin-piperaquineDihydroartemisinin / piperaquineDihydroartemisinin and piperaquine850407-45-3DTXSID40234105RefChem:338245DTXCID00156596(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-Trimethyldecahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-ol--4,4'-[propane-1,3-diyldi(piperazine-4,1-diyl)]bis(7-chloroquinoline) (1/1)
Data from PubChem (NCBI)
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