Chemical Compound

Fexaramine

CAS Registry Number574013-66-4
Fexaramine chemical structure
Primary record

Fexaramine

CAS
574013-66-4
PubChem CID
5326713
SMILES
CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)/C=C/C(=O)OC)C(=O)C4CCCCC4
Molecular Formula
C32H36N2O3
Molecular Weight
496.651
Exact Mass
496.2726
InChI
InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+
InChIKey
VLQTUNDJHLEFEQ-KGENOOAVSA-N
LogP
6.7193
TPSA
49.85

Names and synonyms

  • Fexaramine
  • 574013-66-4
  • Fexaramine?
  • WTG9GFA65U
  • AC1NS0YI
  • RefChem:599179
  • UNII-WTG9GFA65U
  • D01MYO
  • CHEMBL192966
  • MFCD09971007
  • DTXSID80870369
  • C32H36N2O3
  • GTPL2744
  • orb1306738
  • Fexaramine, >=98% (HPLC)
  • SCHEMBL17083218
  • SCHEMBL29355471
  • CHEBI:80003
  • AOB5017
  • DTXCID60910959
  • GLXC-06720
  • HMS3413H09
  • HMS3677H09
  • BCP15784
  • EX-A2246
  • 3671AH
  • BDBM50167161
  • ZINC13831232
  • AKOS024457169
  • C32-H36-N2-O3