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850-52-2

Name Altrenogest
CAS 850-52-2
EINECS(EC#) 212-703-1
Molecular Formula C21H26O2
MDL Number MFCD00867855
Molecular Weight 310.43
MOL File 850-52-2.mol

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.  0-6°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
form  neat
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|

Safety Data

WGK Germany  3
RTECS  KG7745000
HS Code  2937.23.5050

Hazard Information

Material Safety Data Sheet(MSDS)

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