General Information of the Compound
Compound ID
CP0035974
Compound Name
Sulfamate 7
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Synonyms
2,3-4,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate
2,3:4,5-Bis-O-(1-methylethylidene) .beta.-D-fructopyranose sulfamate
2,3:4,5-Bis-O-(1-methylethylidene)-36-D-fructo-pyranose sulfamate
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate
2,3:4,5-Di-O-isopropylidene-(beta)-D-fructopyranose sulfamate
2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose sulfamate
5H-Bis[1,3]dioxolo[4,5-b:4',5'-d]pyran, beta
Beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, sulfamate
Beta-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, sulfamate (9CI);Beta.-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-sulfamate
Cilag brandof topiramate
Epitoma
Epitomax
Janssen brand of topiramate
KS-1122
KW-6485
McN 4853
McN-4853
Ortho brand of topiramate
RWJ 17021
RWJ-17021
RWJ-17021-000
TOR
Tipiramate
Tipiramate [French]
Tipiramato
Tipiramato [Spanish]
Topamac
Topamax
Topamax (TN)
Topamax Sprinkle
Topamax, Topiramate
Topimax
Topina
Topiramate
Topiramate (JAN/USAN/INN)
Topiramate (TPM)
Topiramate / Placebo
Topiramate [USAN:BAN:INN]
Topiramate tablet
Topiramato
Topiramato [INN-Spanish]
Topiramatum
Topiramatum [INN-Latin]
Topiramatum [Latin]
Topiramic acid
Topomax
USL-255
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
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Structure
Formula
C12H21NO8S
Molecular Weight
339.366
Canonical SMILES
CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
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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
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InChIKey
KJADKKWYZYXHBB-XBWDGYHZSA-N
CAS
97240-79-4
Physicochemical Property
logP
-0.3954
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
115.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5284627
SID: 14924784
ChEMBL ID
CHEMBL220492
DrugBank ID
DB00273
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 29.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 29.1 nM
Clinical Information about the Compound
Drug 1 ( Topiramate )
Drug Name Topiramate
Company Ortho-McNell Pharmaceutical
Indication
Alcohol dependence
Approved
Epilepsy
Approved
Epilepsy
Phase 1
Seizure disorder
Investigative
Target(s)
Glutamate receptor ionotropic kainate 1 (GRIK1)
Antagonist