Topiramate didesacetal impurity

CAT: 0926-MT59565-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-MT59565-01Size:25 mg

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CAS Number

106881-42-9

Smiles

C1C (C (C (C (O1) (COS (=O) (=O) N) O) O) O) O

Molecular Formula

C6H13NO8S

Molecular Weight

259.24 g/mol

Controlled

Chemical Information

Topiramate Didesacetal Impurity

CAS Number	106881-42-9
PubChem CID	56606411
IUPAC Name	[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl sulfamate
Molecular Formula	C6H13NO8S
Molecular Weight	259.24
XLogP	-4
Topological Polar Surface Area	168
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	339

SMILES

C1[C@H]([C@H]([C@@H]([C@](O1)(COS(=O)(=O)N)O)O)O)O

InChI

InChI=1S/C6H13NO8S/c7-16(12,13)15-2-6(11)5(10)4(9)3(8)1-14-6/h3-5,8-11H,1-2H2,(H2,7,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey

BGTCZSJLWAMWRH-ARQDHWQXSA-N

Chemical Structure

2D Structure

CAS: 106881-42-9

CID: 56606411

Formula: C6H13NO8S

MW: 259.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.24
XLogP3	-4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	259.03618755
Monoisotopic Mass	259.03618755
Topological Polar Surface Area	168 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	339
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

Catalog	Name
MT59567-01	Topiramate impurity C
MT59563-01	Topiramate dimer impurity
MT59564-01	Topiramate N-methyl impurity
MD03549-01	Topiramate
MH24145-01	S-Hydroxy topiramate
MH24144-01	R-Hydroxy topiramate
MD21212-01	2,3-Desisopropylidene topiramate
MD16687-01	4,5-Desisopropylidene topiramate
BT167048	Topiramate - Bio-X TM
FIA24906-01	Des-[4,5-o- (1-methylethylidene) ] topiramate

Catalog	Name
AR-T02642-01	Topiramate Didesacetal Impurity
RM-T150110-01	Topiramate Impurity 10
RM-T150113-01	Topiramate Impurity 13
RM-T150118-01	Topiramate Impurity 18
RM-T150120-01	Topiramate Impurity 20
RM-T150121-01	Topiramate Impurity 21
RM-T150141-01	Topiramate Impurity 41
RM-T150132-01	Topiramate Impurity 32
RM-T150128-01	Topiramate Impurity 28
RM-T150160-01	Topiramate Impurity 60