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S49076 hydrochloride

CAT: 0862-GW2276-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GW2276-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1265965-19-2
Storage Conditions
+4°C
Hazardous Class
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Chemical Information

(Z)-3-((3-((4-(morpholinomethyl)-1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)methyl)thiazolidine-2,4-dione hydrochloride
CAS Number1265965-19-2
PubChem CID101043621
IUPAC Name3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
Molecular FormulaC22H23ClN4O4S
Molecular Weight475.0
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity769
SMILES
C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O.Cl
InChI
InChI=1S/C22H22N4O4S.ClH/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25;/h1-2,7-10,23H,3-6,11-13H2,(H,24,28);1H/b18-9-;
InChIKey
FPSAJUOIYZSJJA-NAIZSXBXSA-N
Chemical Structure
2D Structure
2D structure of (Z)-3-((3-((4-(morpholinomethyl)-1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)methyl)thiazolidine-2,4-dione hydrochloride
CAS: 1265965-19-2
CID: 101043621
Formula: C22H23ClN4O4S
MW: 475.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass474.1128541
Monoisotopic Mass474.1128541
Topological Polar Surface Area120 Ų
Heavy Atom Count32
Formal Charge0
Complexity769
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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Alternative Products

CatalogName
M11116-01S49076 hydrochloride
HY-12965AS49076 (hydrochloride)
HY-12965B-01(Z) -S49076 (hydrochloride)
BA8885-50S49076
A21407-50S49076 50mg
A21407-5S49076 5mg

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