Topiramate Impurity 51

CAT: 1299-RM-T150151-01Size: 10 mgDry Ice: NoHazardous: No

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CAS Number

205249-19-0

Synonyms

((3aR,5aR,8aR,8bR) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl sulfamate

Molecular Formula

C12H21NO8S

Molecular Weight

339.36

Target Alternative Name

Topiramate

Product Name Synonym

((3aR,5aR,8aR,8bR) -2,2,7,7-tetramethyltetrahydro-3aH-bis ([1,3]dioxolo) [4,5-b:4',5'-d]pyran-3a-yl) methyl sulfamate

Chemical Information

Topiramate Impurity 51

CAS Number	205249-19-0
PubChem CID	40467246
IUPAC Name	[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
Molecular Formula	C12H21NO8S
Molecular Weight	339.36
XLogP	-0.8
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	556

SMILES

CC1(O[C@@H]2CO[C@]3([C@@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C

InChI

InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1

InChIKey

KJADKKWYZYXHBB-MFYTUXHUSA-N

Chemical Structure

2D Structure

CAS: 205249-19-0

CID: 40467246

Formula: C12H21NO8S

MW: 339.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.36
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	339.09878780
Monoisotopic Mass	339.09878780
Topological Polar Surface Area	124 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	556
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes