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Gliquidone Impurity 33

CAT: 1299-RM-G121733-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G121733-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57081-83-1
Synonyms
N- (cyclohexylcarbamoyl) -4- (2- (7-hydroxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) benzenesulfonamide
Molecular Formula
C26H31N3O6S
Molecular Weight
513.61
Target Alternative Name
Gliquidone
Product Name Synonym
N- (cyclohexylcarbamoyl) -4- (2- (7-hydroxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) benzenesulfonamide

Chemical Information

Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-hydroxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-
CAS Number57081-83-1
PubChem CID175675587
IUPAC Name1-cyclohexyl-3-[4-[2-(7-hydroxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea
Molecular FormulaC26H31N3O6S
Molecular Weight513.6
XLogP4.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity932
SMILES
CC1(C2=C(C=C(C=C2)O)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C
InChI
InChI=1S/C26H31N3O6S/c1-26(2)22-13-10-19(30)16-21(22)23(31)29(24(26)32)15-14-17-8-11-20(12-9-17)36(34,35)28-25(33)27-18-6-4-3-5-7-18/h8-13,16,18,30H,3-7,14-15H2,1-2H3,(H2,27,28,33)
InChIKey
AYQRCZWLUSIANE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-hydroxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-
CAS: 57081-83-1
CID: 175675587
Formula: C26H31N3O6S
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass513.19335689
Monoisotopic Mass513.19335689
Topological Polar Surface Area141 Ų
Heavy Atom Count36
Formal Charge0
Complexity932
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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