Identitet

Ximelegatran

Ikke angivet · C14H21N3O

01Identitet

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

02Struktur og stereokemi

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.

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

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
InChIIkke angivet

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.

04Status i Indien

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

05Navne og relationer

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