Identidad

BH2R3Mvs74

No indicado · C25H24FNO3

01Identidad

Lazychem IDLC-41603
CAS RNNo indicado
PubChem CID25417471
Molecular formulaC25H24FNO3
Molecular weight405.5 g/mol
IUPAC name(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-(4-fluorophenyl)phenyl]piperidine
InChIKeyKGCNJTDZPZEYEM-REWPJTCUSA-N

02Estructura y estereoquímica

2D structurePubChem CID 25417471
Two-dimensional chemical structure of BH2R3Mvs74
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 count5
Secondary amines1
Tertiary amines0
SMILESC1CNC[C@H]([C@@H]1C2=CC=C(C=C2)C3=CC=C(C=C3)F)COC4=CC5=C(C=C4)OCO5
InChINo indicado

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.

04Estado en India

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

05Nombres y relaciones

API y fármaco de origen

No indicado

Nombres y relaciones

    Impurezas y compuestos relacionados

      06Fuentes