LY4

(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE


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Chemical Component Summary

Name(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE
SynonymsLY333531
Identifiersn/a
FormulaC28 H28 N4 O3
Molecular Weight468.547
TypeNON-POLYMER
Isomeric SMILESCN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O
InChIInChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
InChIKeyZCBUQCWBWNUWSU-SFHVURJKSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count68
Aromatic Bond Count20

Drug Info: DrugBank

DrugBank IDDB11829 
NameRuboxistaurin
Groups investigational
DescriptionRuboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.
Synonyms
  • Ruboxistaurin hydrochloride
  • Ruboxistaurin
  • Ruboxistaurin mesylate
Categories
  • Acids, Acyclic
  • Dicarboxylic Acids
  • Enzyme Inhibitors
  • Heterocyclic Compounds, Fused-Ring
  • Imides
CAS number169939-94-0

Related Resource References

Resource NameReference
Pharos CHEMBL91829
PubChem 153999
ChEMBL CHEMBL91829
CCDC/CSD ERAHOX
COD 4515829