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Thalidomide-piperazine hydrochloride

CAT: 0013-GTR19186943-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186943-01Size:2 mg
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Description
Thalidomide-piperazine hydrochloride is a research compound used in studying diseases such as leprosy and multiple myeloma. It has been employed as a biochemical tool in both in vitro and in vivo studies to investigate mechanisms of limb development and related pathways.
CAS Number
2228029-82-9
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
Cl.O=C1NC (=O) C (N2C (=O) C3=CC=C (C=C3C2=O) N4CCNCC4) CC1
Molecular Formula
C17H19ClN4O4
Molecular Weight
378.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-(piperazin-1-yl)isoindoline-1,3-dione hydrochloride
CAS Number2228029-82-9
PubChem CID134562528
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride
Molecular FormulaC17H19ClN4O4
Molecular Weight378.8
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity616
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCNCC4.Cl
InChI
InChI=1S/C17H18N4O4.ClH/c22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;/h1-2,9,13,18H,3-8H2,(H,19,22,23);1H
InChIKey
GZNLORFTQXVXFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxopiperidin-3-yl)-5-(piperazin-1-yl)isoindoline-1,3-dione hydrochloride
CAS: 2228029-82-9
CID: 134562528
Formula: C17H19ClN4O4
MW: 378.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass378.1094828
Monoisotopic Mass378.1094828
Topological Polar Surface Area98.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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