Identidad

Ximelegatran

No indicado · C14H21N3O

01Identidad

Lazychem IDLC-107420
CAS RNNo indicado
PubChem CID448042
Molecular formulaC14H21N3O
Molecular weight247.34 g/mol
IUPAC name4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
InChIKeyIYOZTVGMEWJPKR-VOMCLLRMSA-N

02Estructura y estereoquímica

2D structurePubChem CID 448042
Two-dimensional chemical structure of Ximelegatran
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
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