chempirical

Topiramate

C12H21NO8SCAS 97240-79-4339.36 g/mol

Open in Covalent MOL file
OOOSNH2OOOOO
AcetalEther

Properties

Molecular formula
C12H21NO8S
Molar mass
339.36 g/mol
Exact mass
339.0988 Da
Melting point
125–126 °C
logP
-0.40Crippen estimate
Polar surface area
115.5 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
3
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
97240-79-4
SMILES
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1
InChIKey
KJADKKWYZYXHBB-XBWDGYHZSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-sulfamate
  • β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, sulfamate
  • 5H-Bis[1,3]dioxolo[4,5-b:4′,5′-d]pyran, β-D-fructopyranose deriv.
  • McN 4853
  • RWJ 17021
  • 2,3:4,5-Bis-O-(1-methylethylidene) β-D-fructopyranose sulfamate
  • Topomax
  • Topamax
  • Epitomax
  • Topimax
  • Topamac
  • TPM
  • Epitoma
  • Topina
  • Sincronil
  • Qudexy XR
  • Trokendi XR
  • Topiragen

Work with Topiramate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Desisopropylidene topiramate106881-41-864 % similar 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-657 % similar Diacetone L-sorbose17682-70-148 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-gulofuranose14686-89-633 % similar 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-allofuranose2595-05-333 % similar Diacetone-D-glucose582-52-533 % similar 3-O-Acetyl-1,2:5,6-di-O-isopropylidene-α-D-glucofuranose16713-80-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook