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Topiramate Impurity 61

CAT: 1299-RM-T150161-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T150161-01Size:10 mg
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CAS Number
120238-48-4
Synonyms
Methyl (((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl) sulfate
Molecular Formula
C13H22O9S
Molecular Weight
354.37
Target Alternative Name
Topiramate
Product Name Synonym
Methyl (((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl) sulfate

Chemical Information

Topiramate Impurity 61
CAS Number120238-48-4
PubChem CID176481844
IUPAC Namemethyl [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfate
Molecular FormulaC13H22O9S
Molecular Weight354.38
XLogP-0.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity566
SMILES
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)OC)C
InChI
InChI=1S/C13H22O9S/c1-11(2)19-8-6-17-13(7-18-23(14,15)16-5)10(9(8)20-11)21-12(3,4)22-13/h8-10H,6-7H2,1-5H3/t8-,9-,10+,13+/m1/s1
InChIKey
VSELCCJEPPPMQQ-DNJQJEMRSA-N
Chemical Structure
2D Structure
2D structure of Topiramate Impurity 61
CAS: 120238-48-4
CID: 176481844
Formula: C13H22O9S
MW: 354.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.38
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass354.09845345
Monoisotopic Mass354.09845345
Topological Polar Surface Area107 Ų
Heavy Atom Count23
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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