136468-36-5

Name Foropafant
CAS 136468-36-5
Molecular Formula C28H40N4S
MDL Number MFCD00904759
Molecular Weight 464.71
MOL File 136468-36-5.mol
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Chemical Properties

Boiling point  571.6±60.0 °C(Predicted)
density  1.065±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO: soluble5mg/mL (clear solution, warmed)
form  powder
pka 8.75±0.28(Predicted)
color  white to beige
InChI 1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3
InChIKey VVBFISAUNSXQGZ-UHFFFAOYSA-N
SMILES CC(C)c1cc(C(C)C)c(-c2csc(n2)N(CCN(C)C)Cc3cccnc3)c(c1)C(C)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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