ChemicalBook CAS DataBase List 109664-02-0

109664-02-0

Name	Neocryptotanshinone
CAS	109664-02-0
Molecular Formula	C19H22O4
MDL Number	MFCD32878228
Molecular Weight	314.38
MOL File	109664-02-0.mol

Chemical Properties

Boiling point	517.1±50.0 °C(Predicted)
density	1?+-.0.06 g/cm3(Predicted)
storage temp.	4°C, protect from light
solubility	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form	Powder
pka	4.50±1.00(Predicted)
color	Light yellow to yellow
InChI	InChI=1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20,22H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKey	PKEGICXVZMKJPR-JTQLQIEISA-N
SMILES	C1(=O)C2=C(C3=C(C=C2)C(C)(C)CCC3)C(=O)C(O)=C1[C@@H](C)CO

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

Hazard Information

Spectrum Detail

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Animal Model:	MSU-induced pain model in male ICR mice (weighing 20-25 g)^[2]
Dosage:	10, 25, 50 or 100 mg/kg
Administration:	Oral gavage; for 30, 60, 120 min
Result:	Inhibited inflammatory symptoms and nociceptive behaviors in a dose-dependent manner.

109664-02-0

Chemical Properties

Safety Data

Hazard Information

Uses

in vivo

IC 50

storage

References

Spectrum Detail

Supplier

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