Gliquidone Impurity 3

CAT: 1299-RM-G121703-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G121703-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

33456-68-7

Synonyms

4- (2- (7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) benzenesulfonamide

Molecular Formula

C20H22N2O5S

Molecular Weight

402.46

Target Alternative Name

Gliquidone

Product Name Synonym

4- (2- (7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) benzenesulfonamide

Chemical Information

p-(2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)benzenesulphonamide

CAS Number	33456-68-7
PubChem CID	118080
IUPAC Name	4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide
Molecular Formula	C20H22N2O5S
Molecular Weight	402.5
XLogP	2.3
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	707

SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)

InChIKey

YJHGEYXLMLMFCF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33456-68-7

CID: 118080

Formula: C20H22N2O5S

MW: 402.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	402.5
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	402.12494298
Monoisotopic Mass	402.12494298
Topological Polar Surface Area	115 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	707
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes