Identidade

Emixustat

Não indicado · C16H25NO2

01Identidade

Lazychem IDLC-63289
CAS RNNão indicado
PubChem CID25221720
Molecular formulaC16H25NO2
Molecular weight263.37 g/mol
IUPAC name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
InChIKeyWJIGGYYSZBWCGC-MRXNPFEDSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 25221720
Two-dimensional chemical structure of Emixustat
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
SMILESC1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O
InChINão 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 na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes