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Resminostat hydrochloride

CAT: 0607-A3755-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3755-10Size:10 mg
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Description
HDAC inhibitor
CAS Number
1187075-34-8
Product Name Alternative
(Z)-3-(1-((4-((dimethylamino)methyl)phenyl)sulfonyl)-1H-pyrrol-3-yl)-N-hydroxyacrylamide hydrochloride
Sequence
RAS2410 hydrochloride;4SC-201 hydrochloride;RAS 2410 hydrochloride;RAS-2410 hydrochloride
Field of Research
Chromatin Epigenetics HDAC DNA Damage DNA Repair HDAC
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CN(C)CC1=CC=C(S(=O)(N2C=C(/C=C\C(NO)=O)C=C2)=O)C=C1.Cl
Molecular Formula
C16H20ClN3O4S
Molecular Weight
385.87
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Resminostat hydrochloride
CAS Number1187075-34-8
PubChem CID16662815
IUPAC Name(E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide;hydrochloride
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity548
SMILES
CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)/C=C/C(=O)NO.Cl
InChI
InChI=1S/C16H19N3O4S.ClH/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21;/h3-10,12,21H,11H2,1-2H3,(H,17,20);1H/b8-5+;
InChIKey
BVXPKDRKHXARHY-HAAWTFQLSA-N
Chemical Structure
2D Structure
2D structure of Resminostat hydrochloride
CAS: 1187075-34-8
CID: 16662815
Formula: C16H20ClN3O4S
MW: 385.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass385.0863050
Monoisotopic Mass385.0863050
Topological Polar Surface Area100 Ų
Heavy Atom Count25
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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