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Details

Stereochemistry RACEMIC
Molecular Formula C17H16F6N2O.CH4O3S
Molecular Weight 474.418
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEFLOQUINE MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]1(CCCCN1)[C@@H](O)C2=C3C=CC=C(C3=NC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChIKey=GFKKBAFIZVIFAZ-YLCXCWDSSA-N
InChI=1S/C17H16F6N2O.CH4O3S/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;1-5(2,3)4/h3-5,8,12,15,24,26H,1-2,6-7H2;1H3,(H,2,3,4)/t12-,15+;/m1./s1

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H16F6N2O
Molecular Weight 378.3122
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:18:27 UTC 2023
Edited
by admin
on Fri Dec 15 15:18:27 UTC 2023
Record UNII
642Y4F6L0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MEFLOQUINE MESYLATE
Common Name English
4-QUINOLINEMETHANOL, .ALPHA.-(2R)-2-PIPERIDINYL-2,8-BIS(TRIFLUOROMETHYL)-, (.ALPHA.S)-REL-, METHANESULFONATE (1:1)
Common Name English
MEFLOQUINE METHANESULFONATE
Common Name English
4-QUINOLINEMETHANOL, .ALPHA.-2-PIPERIDINYL-2,8-BIS(TRIFLUOROMETHYL)-, (R*,S*)-(±)-, MONOMETHANESULFONATE (SALT)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70213988
Created by admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
PRIMARY
PUBCHEM
71587223
Created by admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
PRIMARY
CAS
64003-26-5
Created by admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
PRIMARY
FDA UNII
642Y4F6L0K
Created by admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY