869185-85-3

Name SB 203580 (hydrochloride)
CAS 869185-85-3
Molecular Formula C21H17ClFN3OS
MDL Number MFCD01862622
Molecular Weight 413.896
MOL File 869185-85-3.mol

Chemical Properties

storage temp.  -20C
solubility  insoluble in EtOH; insoluble in H2O; ≥20.7 mg/mL in DMSO
form  Bright yellow solid
color  Light yellow to yellow
Water Solubility  Soluble to 25 mM in water
Stability: Hygroscopic
InChI 1S/C21H16FN3OS.ClH/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15;/h2-13H,1H3,(H,24,25);1H
InChIKey WOSGGXINSLMASH-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)c2[nH]c(nc2c4ccncc4)c3ccc(cc3)[S](=O)C.Cl

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
HS Code  2933399990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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