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Ruboxistaurin

CAT: 0024-sc-507364Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-507364Size:25 mg
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CAS Number
169939-94-0

Chemical Information

Ruboxistaurin

Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.

CAS Number169939-94-0
PubChem CID153999
IUPAC Name(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 FormulaC28H28N4O3
Molecular Weight468.5
XLogP2.7
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity872
SMILES
CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O
InChI
InChI=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
InChIKey
ZCBUQCWBWNUWSU-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Ruboxistaurin
CAS: 169939-94-0
CID: 153999
Formula: C28H28N4O3
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass468.21614077
Monoisotopic Mass468.21614077
Topological Polar Surface Area68.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4959-5.1Ruboxistaurin
FR27768-01Ruboxistaurin hydrochloride
SHA05059-01Ruboxistaurin mesylate
326958Ruboxistaurin HCl
CS-O-62272Ruboxistaurin-d5
HY-10195B-01Ruboxistaurin (hydrochloride)
HY-10195RRuboxistaurin (Standard)
HY-10195A-01Ruboxistaurin (mesylate)
MBS385080-01Ruboxistaurin (LY333531)

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