Identitet

Arasertaconazole

CAS 583057-48-1 · C20H15Cl3N2OS

01Identitet

Lazychem IDLC-100670
CAS RN583057-48-1
PubChem CID6604451
Molecular formulaC20H15Cl3N2OS
Molecular weight437.8 g/mol
IUPAC name1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
InChIKeyJLGKQTAYUIMGRK-IBGZPJMESA-N

02Struktur og stereokemi

2D structurePubChem CID 6604451
Two-dimensional chemical structure of Arasertaconazole, CAS 583057-48-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
SMILESC1=CC2=C(C(=C1)Cl)SC=C2CO[C@@H](CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
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

API og moderlægemiddel

Ikke angivet

Navne og relationer

  • Arasertaconazole
  • 583057-48-1
  • (R)-Sertaconazole
  • arasertaconazol
  • Arasertaconazole [INN]
  • Sertaconazole, (r)-
  • arasertaconazolum
  • UNII-PR82C5R514
  • PR82C5R514
  • 1-((2R)-2-((7-Chloro-1-benzothiophen-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole
  • CHEBI:83685
  • DTXSID00207032

Urenheder og beslægtede forbindelser

    06Kilder