Identidad

Tocris-0609

No indicado · C23H46NO4+

01Identidad

Lazychem IDLC-113235
CAS RNNo indicado
PubChem CID167760
Molecular formulaC23H46NO4+
Molecular weight400.6 g/mol
IUPAC name[(2R)-3-carboxy-2-hexadecanoyloxypropyl]-trimethylazanium
InChIKeyXOMRRQXKHMYMOC-OAQYLSRUSA-O

02Estructura y estereoquímica

2D structurePubChem CID 167760
Two-dimensional chemical structure of Tocris-0609
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count0
Secondary amines0
Tertiary amines0
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChINo indicado

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

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