Chemical Compound

Avacopan Impurity 4

CAS Registry Number1346623-05-9
Avacopan Impurity 4 chemical structure
Primary record

Avacopan Impurity 4

CAS
1346623-05-9
PubChem CID
58506544
SMILES
CCOC(=O)[C@H]1CCCN([C@H]1C2=CC=C(C=C2)NC(=O)OC(C)(C)C)C(=O)C3=C(C=CC=C3F)C
Molecular Formula
C27H33FN2O5
Molecular Weight
484.568
Exact Mass
484.2374
InChI
InChI=1S/C27H33FN2O5/c1-6-34-25(32)20-10-8-16-30(24(31)22-17(2)9-7-11-21(22)28)23(20)18-12-14-19(15-13-18)29-26(33)35-27(3,4)5/h7,9,11-15,20,23H,6,8,10,16H2,1-5H3,(H,29,33)/t20-,23-/m0/s1
InChIKey
GOAFPVCTVZNRQG-REWPJTCUSA-N
LogP
5.6377
TPSA
84.94

Names and synonyms

  • Avacopan Impurity 4
  • SCHEMBL2587889
  • SCHEMBL30353396
  • GOAFPVCTVZNRQG-REWPJTCUSA-N
  • SY471185
  • 1346623-05-9
  • Ethyl (2R,3S)-2-[4-(Boc-amino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxylate
  • ethyl (2R,3S)-2-[4-(tert-butoxycarbonylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxylate