English name: Altrenogest
CAS number: 850-52-2
Molecular formula: C21H26O2
Molecular weight: 310.44
EINECS number: 212-703-1
MDL No. : MFCD00867855
Stats
Melting point 120°
Specific rotation 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 conditions Sealed in dry,2-8°C
Solubility DMF: 2 mg/ml; DMSO: 0.1mg /ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
Acidity coefficient (pKa)14.59±0.40(Predicted)
Form Solid
The color is White to Yellow
Merck14, 319
InChIInChI = 1 / C21H26O2 / c1-3-10-21 (23), 3-10-21-18-6-4-14-13-15 (22) 5-7-16 (14) 17 (18) 5-7-16 (19, 21) 2 / h3, 8,11,13,18-19, 23 H, 1, 4 - 7, 9, 10, 12 H2, h3 / t18-2, 19 + 20 + 21 + / s3
InChIKeyVWAUPFMBXBWEQY-ANULTFPQSA-N
@ SMILESC [C] 12 C = CC3 = C4CCC (= O) C = C4CC @ @ [C] 3 ([H]) @ [C], [H]) 1 CC @ @ [C] 2 (O) CC = C | & 1:1, 14,16,20, r |