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Remetinostat 200mg

CAT: 0628-A12149-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A12149-200Size:200 mg
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CAS Number
946150-57-8

Chemical Information

Remetinostat

Remetinostat is under investigation in clinical trial NCT02213861 (Efficacy, Safety and Tolerability Study of SHAPE in IA, IB or IIA Cutaneous T-cell Lymphoma).

CAS Number946150-57-8
PubChem CID24875489
IUPAC Namemethyl 4-[8-(hydroxyamino)-8-oxooctanoyl]oxybenzoate
Molecular FormulaC16H21NO6
Molecular Weight323.34
XLogP2
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity390
SMILES
COC(=O)C1=CC=C(C=C1)OC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C16H21NO6/c1-22-16(20)12-8-10-13(11-9-12)23-15(19)7-5-3-2-4-6-14(18)17-21/h8-11,21H,2-7H2,1H3,(H,17,18)
InChIKey
XDZAHHULFQIBFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Remetinostat
CAS: 946150-57-8
CID: 24875489
Formula: C16H21NO6
MW: 323.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.34
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass323.13688739
Monoisotopic Mass323.13688739
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity390
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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