Chemical Compound

Emraclidine

CAS Registry Number2170722-84-4
Emraclidine chemical structure
Primary record

Emraclidine

CAS
2170722-84-4
PubChem CID
140830653
SMILES
CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)C
Molecular Formula
C20H21F3N4O
Molecular Weight
390.409
Exact Mass
390.1667
InChI
InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3
InChIKey
DTCZNKWBDTXEBS-UHFFFAOYSA-N
LogP
3.4809
TPSA
49.33

Names and synonyms

  • Emraclidine
  • Emraclidine [INN]
  • Emraclidine?
  • 2170722-84-4
  • CVL-231
  • UNII-J241Y80EEO
  • J241Y80EEO
  • RefChem:136727
  • Emraclidine (USAN/INN)
  • EMRACLIDINE [USAN]
  • CVL231
  • orb1297942
  • CHEMBL5314557
  • SCHEMBL21847933
  • SCHEMBL29495769
  • GTPL13626
  • DTCZNKWBDTXEBS-UHFFFAOYSA-N
  • DTXSID201358735
  • GLXC-26892
  • EX-A6010
  • PF-06852231
  • BDBM50635592
  • EBC-07983
  • MFCD34186088
  • AKOS040759933
  • compound 21 [PMID: 38888621]
  • DA-73092
  • MS-26500
  • SY343212
  • HY-132812