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Suberoylanilide Hydroxamic Acid

CAT: 0024-sc-220139Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-220139Size:100 mg
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CAS Number
149647-78-9

Chemical Information

Vorinostat

Vorinostat is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). It has a role as an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a hydroxamic acid and a dicarboxylic acid diamide. It is functionally related to a hydroxylamine, an aniline and a suberic acid.

CAS Number149647-78-9
PubChem CID5311
IUPAC NameN'-hydroxy-N-phenyloctanediamide
Molecular FormulaC14H20N2O3
Molecular Weight264.32
XLogP1.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity276
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKey
WAEXFXRVDQXREF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vorinostat
CAS: 149647-78-9
CID: 5311
Formula: C14H20N2O3
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass264.14739250
Monoisotopic Mass264.14739250
Topological Polar Surface Area78.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HVB74948-01Suberoylanilide-d5 hydroxamic acid
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S7990Suberoylanilide Hydroxamic Acid (SAHA, Zolinza, Vorinostat)
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