Identita

AH3873Eqp5

Neuvedené · C19H23ClFNO

01Identita

Lazychem IDLC-33547
CAS RNNeuvedené
PubChem CID157010671
Molecular formulaC19H23ClFNO
Molecular weight335.8 g/mol
IUPAC name[(3S,4R)-1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methanol;hydrochloride
InChIKeySQSWEIGDLXHNTO-QQTWVUFVSA-N

02Štruktúra a stereochémia

2D structurePubChem CID 157010671
Two-dimensional chemical structure of AH3873Eqp5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines1
SMILESC1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)CO)CC3=CC=CC=C3.Cl
InChINeuvedené

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vzťahy

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      06Zdroje