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Torsemide Impurity E

CAT: 1596-AR-T02708-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02708-01Size:10 Units
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CAS Number
72810-57-2
Synonyms
Ethyl (4- (m-tolylamino) pyridin-3-yl) sulfonylcarbamate; Ethyl [[4-[ (3-Methylphenyl) amino]-3-pyridinyl]sulfonyl]carbamate; Ethyl (4- (m-Tolylamino) pyridin-3-yl) sulfonylcarbamate; [[4-[ (3-Methylphenyl) amino]-3-pyridinyl]sulfonyl]carbamic Acid Ethyl Ester
Molecular Formula
C15H17N3O4S
Molecular Weight
335.38
API Name
Torsemide

Chemical Information

[[4-[(3-Methylphenyl)amino]-3-pyridinyl]sulfonyl]carbamic Acid Ethyl Ester
CAS Number72810-57-2
PubChem CID10472122
IUPAC Nameethyl N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]carbamate
Molecular FormulaC15H17N3O4S
Molecular Weight335.4
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity491
SMILES
CCOC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C
InChI
InChI=1S/C15H17N3O4S/c1-3-22-15(19)18-23(20,21)14-10-16-8-7-13(14)17-12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
ODHVVIKEJOPBII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [[4-[(3-Methylphenyl)amino]-3-pyridinyl]sulfonyl]carbamic Acid Ethyl Ester
CAS: 72810-57-2
CID: 10472122
Formula: C15H17N3O4S
MW: 335.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass335.09397721
Monoisotopic Mass335.09397721
Topological Polar Surface Area106 Ų
Heavy Atom Count23
Formal Charge0
Complexity491
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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