Lariam
PubChem CID: 4046
Connections displayed (default: 10).
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| Compound Synonyms | mefloquine, Lariam, 49752-90-1, GNF-Pf-5544, [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol, alpha-2-Piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol, [2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol, alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol, CHEMBL416956, CHEBI:63681, Racemic mefloquine, (2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol, [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol, Mefloquinone, WR-142490, melfoquine, Mefaquin, rac-mefloquine, SR-05000001820, threo-MefloquineHydrochloride, NSC-758233, EINECS 256-468-3, WR 142,490, Spectrum_001312, Prestwick0_000126, Prestwick1_000126, Prestwick2_000126, Prestwick3_000126, Spectrum2_001516, Spectrum3_000953, Spectrum4_001066, Spectrum5_001122, SCHEMBL21782, BSPBio_000172, KBioGR_001392, KBioSS_001792, DivK1c_000790, SPECTRUM1503070, SPBio_001591, SPBio_002111, BPBio1_000190, GTPL4252, [(R*,S*)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol, HMS502H12, KBio1_000790, KBio2_001792, KBio2_004360, KBio2_006928, KBio3_002046, DTXSID50860636, (DL-erythro-.alpha.-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol, NINDS_000790, HMS1922C09, 4-Quinolinemethanol, .alpha.-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (.alpha.S)-rel-, BCP09262, BDBM50022889, CCG-39182, STL581681, AKOS030575625, DB00358, IDI1_000790, NCGC00094994-01, NCGC00094994-02, NCGC00094994-03, NCGC00094994-04, NCGC00094994-06, SBI-0051761.P002, DB-179095, AB00052310, NS00005035, Ro-21-5998-001, AB00052310_09, EN300-1696285, Q736270, BRD-A89585551-003-03-4, BRD-A89585551-003-08-3, BRD-A89585551-003-16-6, SR-05000001820-11, (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol, 4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, rel-(2,8-bis(trifluoromethyl)quinolin-4-yl)(piperidin-2-yl)methanol, (2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol, (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(R)-piperidin-2-yl-methanol, (S)-(2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol, 2-[(2,8-Bis-trifluoromethyl-quinolin-4-yl)-hydroxy-methyl]-piperidinium, (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol( Mefloquine), (2,8-Bis-trifluoromethyl-quinolin-4-yl)-piperidin-2-yl-methanol, (Mefloquine or MF), 2,8-di(trifluoromethyl)-4-quinolyl-hexahydro-2-pyridinylmethanol(Mefloquine), 4-Quinolinemethanol, .alpha.-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(.+/-.)- |
|---|---|
| Topological Polar Surface Area | 45.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol |
| Prediction Hob | 1.0 |
| Target Id | NPT98, NPT426 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16F6N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | XEEQGYMUWCZPDN-UHFFFAOYSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -2.899 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.493 |
| Compound Name | Lariam |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 378.117 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.117 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 378.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.486774584615384 |
| Inchi | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2 |
| Smiles | C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crinum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients