Identiteit

Seproxetine

Niet vermeld · C16H16F3NO

01Identiteit

Lazychem IDLC-89769
CAS RNNiet vermeld
PubChem CID3058751
Molecular formulaC16H16F3NO
Molecular weight295.30 g/mol
IUPAC name(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
InChIKeyWIQRCHMSJFFONW-HNNXBMFYSA-N

02Structuur en stereochemie

2D structurePubChem CID 3058751
Two-dimensional chemical structure of Seproxetine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
SMILESC1=CC=C(C=C1)[C@H](CCN)OC2=CC=C(C=C2)C(F)(F)F
InChINiet vermeld

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Status in India

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

05Namen en relaties

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      06Bronnen