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Altrenogest Structure

Altrenogest

Chemical Properties

Melting point 120°
alpha  D20 -72° (c = 0.5 in ethanol)
Boiling point 390.58°C (rough estimate)
Density  1.0865 (rough estimate)
refractive index  1.4900 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
pka 14.59±0.40(Predicted)
color  White to Yellow
Merck  14,319
InChI InChI=1/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/s3
InChIKey VWAUPFMBXBWEQY-ANULTFPQSA-N
SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC=C |&1:1,14,16,20,r|
FDA 21 CFR 556.36
FDA UNII 2U0X0JA2NB

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H301-H360FD-H373-H410
Precautionary statements P202-P260-P264-P270-P273-P301+P310
WGK Germany  3
RTECS  KG7745000
HS Code  2937.23.5050
NFPA 704:
0
2 0

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