Azonosítás

Win 35428

Nincs megadva · C16H20FNO2

01Azonosítás

Lazychem IDLC-116442
CAS RNNincs megadva
PubChem CID105056
Molecular formulaC16H20FNO2
Molecular weight277.33 g/mol
IUPAC namemethyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKeyQUSLQENMLDRCTO-YJNKXOJESA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 105056
Two-dimensional chemical structure of Win 35428
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 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines1
SMILESCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC
InChINincs megadva

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Indiai státusz

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

05Nevek és kapcsolatok

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Nincs megadva

Nevek és kapcsolatok

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      06Források