Identità

Tiagabine diol

Mhux elenkat · C20H27NO4S2

01Identità

Lazychem IDLC-33600
CAS RNMhux elenkat
PubChem CID156596492
Molecular formulaC20H27NO4S2
Molecular weight409.6 g/mol
IUPAC name(3R)-1-[3,4-dihydroxy-4,4-bis(3-methylthiophen-2-yl)butyl]piperidine-3-carboxylic acid
InChIKeyLRLPWDNQYQPWNA-AAFJCEBUSA-N

02Struttura u stereokimika

2D structurePubChem CID 156596492
Two-dimensional chemical structure of Tiagabine diol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC1=C(SC=C1)C(C2=C(C=CS2)C)(C(CCN3CCC[C@H](C3)C(=O)O)O)O
InChIMhux elenkat

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.

04Status fl-Indja

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

05Ismijiet u relazzjonijiet

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Mhux elenkat

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