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92623-83-1

Name Pravadoline
CAS 92623-83-1
Molecular Formula C23H26N2O3
MDL Number MFCD00864378
Molecular Weight 378.46
MOL File 92623-83-1.mol
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Chemical Properties

Melting point  104-105 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point  553.1±50.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
solubility  DMF: 5 mg/ml; DMSO: 5 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 0.15 mg/ml
form  Off-white solid.
pka 7.07±0.10(Predicted)
InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
InChIKey MEUQWHZOUDZXHH-UHFFFAOYSA-N
SMILES C(C1=CC=C(OC)C=C1)(C1C2=C(N(CCN3CCOCC3)C=1C)C=CC=C2)=O

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

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