60282-87-3

Name Gestodene
CAS 60282-87-3
EINECS(EC#) 262-145-8
Molecular Formula C21H32O
MDL Number MFCD00867858
Molecular Weight 300.48
MOL File 60282-87-3.mol
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Chemical Properties

Appearance White Crystalline Solid
Melting point  190-192°C
Boiling point  462.7±45.0 °C(Predicted)
density  1.15±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMSO: >20mg/mL
form  powder
pka 12.16±0.40(Predicted)
color  white to off-white
Optical Rotation [α]/D -175 to -195° (DCM)
Usage Orally active gestogen with progesterone-like profile of activity
λmax 240nm(MeOH)(lit.)
Merck  14,4413
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey SIGSPDASOTUPFS-XUDSTZEESA-N
SMILES C1C[C@]2([H])[C@@]3([H])CC[C@]4(CC)[C@@](C#C)(O)C=C[C@@]4([H])[C@]3([H])CCC2=CC1=O
CAS DataBase Reference 60282-87-3(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H361fd
Precautionary statements  P201-P308+P313
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  JF7956000
HS Code  29144000
Storage Class 11 - Combustible Solids
Hazard Classifications Repr. 2
Hazardous Substances Data 60282-87-3(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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