Tożsamość

Avacopan

CAS 1346623-17-3 · C33H35F4N3O2

01Tożsamość

Lazychem IDLC-100677
CAS RN1346623-17-3
PubChem CID49841217
Molecular formulaC33H35F4N3O2
Molecular weight581.6 g/mol
IUPAC name(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
InChIKeyPUKBOVABABRILL-YZNIXAGQSA-N

02Struktura i stereochemia

2D structurePubChem CID 49841217
Two-dimensional chemical structure of Avacopan, CAS 1346623-17-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count5
Secondary amines1
Tertiary amines0
SMILESCC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F
InChINie podano

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

Nie podano

Nazwy i powiązania

  • Avacopan
  • 1346623-17-3
  • CCX168
  • Tavneos
  • O880NM097T
  • (2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
  • DTXSID701102660
  • 3-Piperidinecarboxamide, 2-(4-(cyclopentylamino)phenyl)-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-(trifluoromethyl)phenyl)-, (2R,3S)-
  • avacopanum
  • (2R,3S)-2-(4-(Cyclopentylamino)phenyl)-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-(trifluoromethyl)phenyl)-3-piperidinecarboxamide
  • RefChem:57020
  • DTXCID701534346

Zanieczyszczenia i związki pokrewne

    06Źródła