287405-51-0

Name apratastat
CAS 287405-51-0
Molecular Formula C17H22N2O6S2
MDL Number MFCD13152357
Molecular Weight 414.5
MOL File 287405-51-0.mol
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Chemical Properties

density  1.390
storage temp.  Store at -20°C
solubility  DMF: 25 mg/ml; DMSO: 25 mg/ml; DMSO:PBS (pH 7.2) (1:40): 0.02 mg/ml; Ethanol: 10 mg/ml
form  A crystalline solid
pka 9.25±0.23(Predicted)
color  White to off-white
InChI 1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKey MAVDNGWEBZTACC-HNNXBMFYSA-N
SMILES O=S(N1CCSC(C)(C)[C@@H]1C(NO)=O)(C2=CC=C(OCC#CCO)C=C2)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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