Ruboxistaurin
(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
Molecular Identity
Ruboxistaurin
(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
PubChem CID: 153999
2D Structure
Properties
C28H28N4O3
Molecular Formula
468.50
Molecular Weight
g/mol
468.2161
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
68.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
872
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=OIsomeric SMILES
SMILES: CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=OSynonyms(20)
Ruboxistaurin169939-94-0LY-333531RuboxistaurinaRuboxistaurine721809WQCP13-((Dimethylamino)methyl)-10,11,14,15-tetrahydro-4,9:16,21-dimetheno-1H,13H-dibenzo(e,k)pyrrolo(3,4-h)(1,4,13)oxadiazacyclohexadecene-1,3(2H)-dioneDTXSID00168775ruboxistaurinumRefChem:930973DTXCID1091266Ruboxistaurin [INN]LY 333531(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dioneLY333531
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ruboxistaurin
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