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

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