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Torasemide Impurity 3

CAT: 1596-AR-T02716-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02716-02Size:100 Units
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CAS Number
106944-63-2
Synonyms
N- (isopropylcarbamoyl) -4- (p-tolylamino) pyridine-3-sulfonamide; para-Torasemide; 1-[4- (4-Methylanilino) pyridin-3-yl]sulfonyl-3-propan-2-ylurea
Molecular Formula
C16H20N4O3S
Molecular Weight
348.42
API Name
Torsemide

Chemical Information

N-[[(1-Methylethyl)amino]carbonyl]-4-[(4-methylphenyl)amino]-3-pyridinesulfonamide
CAS Number106944-63-2
PubChem CID70039323
IUPAC Name1-[[4-(4-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
Molecular FormulaC16H20N4O3S
Molecular Weight348.4
XLogP2.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity510
SMILES
CC1=CC=C(C=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C
InChI
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-9-8-14(15)19-13-6-4-12(3)5-7-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKey
OYWIUXPFDBBNOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[(1-Methylethyl)amino]carbonyl]-4-[(4-methylphenyl)amino]-3-pyridinesulfonamide
CAS: 106944-63-2
CID: 70039323
Formula: C16H20N4O3S
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass348.12561169
Monoisotopic Mass348.12561169
Topological Polar Surface Area109 Ų
Heavy Atom Count24
Formal Charge0
Complexity510
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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