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Topiramate EP Impurity B

CAT: 1299-RM-T150106-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T150106-01Size:10 mg
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CAS Number
876403-98-4
Synonyms
((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl diethylcarbamoylsulfamate
Molecular Formula
C17H30N2O9S
Molecular Weight
438.49
Target Alternative Name
Topiramate
Product Name Synonym
((3aS,5aR,8aR,8bS) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl diethylcarbamoylsulfamate

Chemical Information

Topiramate EP Impurity B
CAS Number876403-98-4
PubChem CID16655600
IUPAC Name[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl N-(diethylcarbamoyl)sulfamate
Molecular FormulaC17H30N2O9S
Molecular Weight438.5
XLogP0.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity732
SMILES
CCN(CC)C(=O)NS(=O)(=O)OC[C@]12[C@H]([C@H]3[C@@H](CO1)OC(O3)(C)C)OC(O2)(C)C
InChI
InChI=1S/C17H30N2O9S/c1-7-19(8-2)14(20)18-29(21,22)24-10-17-13(27-16(5,6)28-17)12-11(9-23-17)25-15(3,4)26-12/h11-13H,7-10H2,1-6H3,(H,18,20)/t11-,12-,13+,17+/m1/s1
InChIKey
ACYUMNAWFQMILA-FJZAXULXSA-N
Chemical Structure
2D Structure
2D structure of Topiramate EP Impurity B
CAS: 876403-98-4
CID: 16655600
Formula: C17H30N2O9S
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass438.16720171
Monoisotopic Mass438.16720171
Topological Polar Surface Area130 Ų
Heavy Atom Count29
Formal Charge0
Complexity732
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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