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Also known as: 106881-35-0, Topiramate azidosulfate, Topiramate impurity 1, Dtxsid50549419, 2,3:4,5-di-o-isopropylidene-b-d-fructopyranose azide sulphate, Zinc28001601
Molecular Formula
C12H19N3O8S
Molecular Weight
365.36  g/mol
InChI Key
ULLWHTAOFMDWSA-XBWDGYHZSA-N

CAS 106881-35-0
1 2D Structure

CAS 106881-35-0

2 Identification
2.1 Computed Descriptors
2.1.1 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-diazosulfamate
2.1.2 InChI
InChI=1S/C12H19N3O8S/c1-10(2)20-7-5-18-12(6-19-24(16,17)15-14-13)9(8(7)21-10)22-11(3,4)23-12/h7-9H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
2.1.3 InChI Key
ULLWHTAOFMDWSA-XBWDGYHZSA-N
2.1.4 Canonical SMILES
CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N=[N+]=[N-])C
2.1.5 Isomeric SMILES
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N=[N+]=[N-])C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 106881-35-0

2. Topiramate Azidosulfate

3. Topiramate Impurity 1

4. Dtxsid50549419

5. 2,3:4,5-di-o-isopropylidene-b-d-fructopyranose Azide Sulphate

6. Zinc28001601

7. W-200758

8. [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-2h,3ah,7h-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl Sulfurazidate (non-preferred Name)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 365.36 g/mol
Molecular Formula C12H19N3O8S
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass365.08928575 g/mol
Monoisotopic Mass365.08928575 g/mol
Topological Polar Surface Area112 Ų
Heavy Atom Count24
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

BUILDING BLOCK

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