4090-18-0

Name SINOACUTINE
CAS 4090-18-0
Molecular Formula C19H21NO4
MDL Number MFCD00238685
Molecular Weight 327.37
MOL File 4090-18-0.mol
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Chemical Properties

Melting point  198℃
Boiling point  532.5±50.0 °C(Predicted)
density  1.33
solubility  DMF: 10mg/mL; DMF:PBS (pH 7.2) (1:4): 0.2mg/mL; DMSO: 5mg/mL; Ethanol: 1mg/mL
form  A solid
pka 9.28±0.40(Predicted)
InChI InChI=1/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/s3
InChIKey GVTRUVGBZQJVTF-FQOPCSHHNA-N
SMILES [C@@]123CCN(C)[C@@]([H])(CC4C=CC(OC)=C(O)C1=4)C2=CC(=O)C(OC)=C3 |&1:0,5,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501

Hazard Information

Spectrum Detail

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