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Tibolone Structure

Tibolone

Chemical Properties

Melting point 169 °C
Boiling point 447.4±45.0 °C(Predicted)
Density  1.13±0.1 g/cm3(Predicted)
refractive index  105 ° (C=0.54, CH2Cl2/Et2O)
storage temp.  2-8°C
solubility  DMSO: soluble15mg/mL, clear
pka 13.10±0.60(Predicted)
color  white to beige
Merck  9427
InChI InChI=1/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/s3
InChIKey WZDGZWOAQTVYBX-PGFZCDQENA-N
SMILES [C@@]12([H])[C@H](C)CC3CC(=O)CCC=3[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C#C |&1:0,2,12,16,18,21,r|
CAS DataBase Reference 5630-53-5(CAS DataBase Reference)
FDA UNII FF9X0205V2
NCI Drug Dictionary tibolone
ATC code G03CX01

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313
Hazard Codes  N
Risk Statements  51/53
Safety Statements  22-24/25-61
RIDADR  UN 3077 9/PG 3
RTECS  RC8964020
NFPA 704:
0
2 0

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