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O-Torsemide

CAT: 0572-TRC-T585500-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T585500-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106944-62-1
Synonyms
3-Pyridinesulfonamide, N-[[(1-methylethyl)amino]carbonyl]-4-[(2-methylphenyl)amino]-; o-Torasemide; 1-(1-Methylethyl)-3-[[4-[(2-methylphenyl)amino]pyridin-3-yl]sulfonyl]urea; (1-(1-Methylethyl)-3-[[4-[(2-methylphenyl)amino]pyridin-3-yl]sulfonyl]urea)
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2ccccc2C
Molecular Formula
C16 H20 N4 O3 S
Molecular Weight
348.42
InChI
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-9-8-14(15)19-13-7-5-4-6-12(13)3/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
Additionnal Information
IUPAC name: 1-[4-(2-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

O-Torsemide
CAS Number106944-62-1
PubChem CID70039326
IUPAC Name1-[[4-(2-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
Complexity518
SMILES
CC1=CC=CC=C1NC2=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)19-13-7-5-4-6-12(13)3/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKey
QZCPTFXLYNBKGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Torsemide
CAS: 106944-62-1
CID: 70039326
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
Complexity518
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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