API and parent drug

Mefloquine Hydrochloride

CAS 51773-92-3 · C17H17ClF6N2O · 6 related records

01API identity and structure

2D structurePubChem CID 18660697
2D structure: Mefloquine Hydrochloride, CAS 51773-92-3
Structure of Mefloquine Hydrochloride (CAS 51773-92-3). LazyChem record. Source identity: PubChem CID 18660697. Confirm the identifiers before analytical use.Download structure image
API / medicine nameMefloquine Hydrochloride
CAS RN51773-92-3
PubChem CID18660697
Molecular formulaC17H17ClF6N2O
Molecular weight414.77 g/mol
IUPAC name(RS)-[2,8-Bis(trifluoromethyl)quinolin-4-yl][(2SR)-piperidin-2-yl]methanol hydrochloride
Defined stereocentres2
Unassigned stereocentres0
SMILESC1CCN[C@@H](C1)[C@@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
InChINot listed
InChIKeyWESWYMRNZNDGBX-SBKWZQTDSA-N

02Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 51773-92-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources