Almorexant

CAS Registry Number®

871224-64-5

CAS Name

Almorexant

Molecular Formula

C29H31F3N2O3

Molecular Mass

512.56

Cite this Page

Almorexant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=871224-64-5 (retrieved 2024-11-22) (CAS RN: 871224-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1

InChIKey

InChIKey=DKMACHNQISHMDN-RPLLCQBOSA-N

SMILES

C(CC1=CC=C(C(F)(F)F)C=C1)[C@H]2C=3C(=CC(OC)=C(OC)C3)CCN2[C@@H](C(NC)=O)C4=CC=CC=C4

Canonical SMILES

O=C(NC)C(C=1C=CC=CC1)N2CCC3=CC(OC)=C(OC)C=C3C2CCC4=CC=C(C=C4)C(F)(F)F

Other Names for this Substance

  • 2(1H)-Isoquinolineacetamide, 3,4-dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (αR,1S)-
  • (αR,1S)-3,4-Dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-2(1H)-isoquinolineacetamide
  • ACT 078573
  • Almorexant

CAS INSIGHTSTM
Targeted protein degrader structure, illustration