106881-41-8

Name 4,5-Desisopropylidene Topiramate
CAS 106881-41-8
Molecular Formula C9H17NO8S
MDL Number MFCD09952180
Molecular Weight 299.3
MOL File 106881-41-8.mol
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Chemical Properties

Melting point  >120°C (dec.)
Boiling point  503.3±60.0 °C(Predicted)
density  1.549±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Methanol (Slightly, Sonicated), Water (Slightly, Heated)
form  Solid
pka 9.30±0.70(Predicted)
color  White to Pale Beige
InChI InChI=1/C9H17NO8S/c1-8(2)17-7-6(12)5(11)3-15-9(7,18-8)4-16-19(10,13)14/h5-7,11-12H,3-4H2,1-2H3,(H2,10,13,14)/t5-,6-,7+,9+/s3
InChIKey CKFVNUZYZFRVCR-BODDTQOYNA-N
SMILES [C@@]12(COS(N)(=O)=O)OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)(C)O2 |&1:0,9,11,13,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501

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