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Torasemide Impurity 22

CAT: 1299-RM-T181922-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T181922-02Size:25 mg
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CAS Number
947327-54-0
Synonyms
4- (m-tolyl) -3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Molecular Formula
C13H13N3O2S
Molecular Weight
275.33
Target Alternative Name
Torasemide
Product Name Synonym
4- (m-tolyl) -3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

Chemical Information

Vkt22vrg3H
CAS Number947327-54-0
PubChem CID100818727
IUPAC Name4-(3-methylphenyl)-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Molecular FormulaC13H13N3O2S
Molecular Weight275.33
XLogP1.7
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity420
SMILES
CC1=CC(=CC=C1)N2CNS(=O)(=O)C3=C2C=CN=C3
InChI
InChI=1S/C13H13N3O2S/c1-10-3-2-4-11(7-10)16-9-15-19(17,18)13-8-14-6-5-12(13)16/h2-8,15H,9H2,1H3
InChIKey
ZOOGXBWEFFDOBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vkt22vrg3H
CAS: 947327-54-0
CID: 100818727
Formula: C13H13N3O2S
MW: 275.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.33
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass275.07284784
Monoisotopic Mass275.07284784
Topological Polar Surface Area70.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity420
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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AR-T02711-01Torasemide Impurity F
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