152-58-9

Name CORTEXOLONE
CAS 152-58-9
EINECS(EC#) 205-805-2
Molecular Formula C21H30O4
MDL Number MFCD00003662
Molecular Weight 346.46
MOL File 152-58-9.mol
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Chemical Properties

Appearance Crystalline Solid
Melting point  205-208 °C
Boiling point  401.19°C (rough estimate)
density  1.22±0.1 g/cm3 (20 ºC 760 Torr)
refractive index  120 ° (C=1, Dioxane)
Fp  9℃
storage temp.  Sealed in dry,Room Temperature
solubility  Dioxane (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 12?+-.0.60(Predicted)
color  White to Off-White
Water Solubility  44.08mg/L(37 ºC)
Usage Glucocorticoid receptor binding
Merck  2932
InChI InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKey WHBHBVVOGNECLV-OBQKJFGGSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](O)(C(=O)CO)CC3)CC2
CAS DataBase Reference 152-58-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS06,GHS08
Signal word  Danger
Hazard statements  H225-H301+H311+H331-H370
Precautionary statements  P210-P260-P280-P301+P310-P311
Hazard Codes  F,T
Risk Statements 
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  3
RTECS  TU5011500
HS Code  2937.23.5050
Toxicity
mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04684,

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