Azonosítás

Desmethyltiagabine

Nincs megadva · C19H23NO2S2

01Azonosítás

Lazychem IDLC-40357
CAS RNNincs megadva
PubChem CID54419442
Molecular formulaC19H23NO2S2
Molecular weight361.5 g/mol
IUPAC name(3R)-1-[4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylic acid
InChIKeyVZSYFEZWPMQBNC-OAHLLOKOSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 54419442
Two-dimensional chemical structure of Desmethyltiagabine
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines1
SMILESCC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=CC=CS3
InChINincs megadva

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.

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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      06Források