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Glimepiride EP Impurity F

CAT: 0926-IG183143-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-IG183143-01Size:10 mg
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CAS Number
2731586-74-4
Synonyms
Methyl N-[[2-[2-[[ (3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl) carbonyl]amino]ethyl]phenyl]sulfonyl]carbamate
Smiles
O=C (OC) NS (=O) (=O) C=1C=CC=CC1CCNC (=O) N2C (=O) C (=C (C) C2) CC
Molecular Formula
C18H23N3O6S
Molecular Weight
409.46 g/mol
Controlled
No

Chemical Information

methyl ((2-(2-(((3-ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl)amino)ethyl)phenyl)sulfonyl)carbamate
CAS Number2731586-74-4
PubChem CID76961073
IUPAC Namemethyl N-[2-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
Molecular FormulaC18H23N3O6S
Molecular Weight409.5
XLogP1.8
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity756
SMILES
CCC1=C(CN(C1=O)C(=O)NCCC2=CC=CC=C2S(=O)(=O)NC(=O)OC)C
InChI
InChI=1S/C18H23N3O6S/c1-4-14-12(2)11-21(16(14)22)17(23)19-10-9-13-7-5-6-8-15(13)28(25,26)20-18(24)27-3/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKey
RSBMEEOCELOOQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl ((2-(2-(((3-ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl)amino)ethyl)phenyl)sulfonyl)carbamate
CAS: 2731586-74-4
CID: 76961073
Formula: C18H23N3O6S
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass409.13075664
Monoisotopic Mass409.13075664
Topological Polar Surface Area130 Ų
Heavy Atom Count28
Formal Charge0
Complexity756
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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