Altrenogest NEW

"Attribute"

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: 0.1 mg/ml; Ethanol: 20 mg/ml;  Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml

Acidity coefficient (pKa)14.59±0.40(Predicted)

Morphology Solid

Colour: 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 |

Security information

hazard symbols (GHS)GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms

GHS06,GHS08,GHS09

Warning word: Danger

Hazard description: H301-H360FD-H373-H410

Precautions: P202-P260-P264-P270-P273-P301+P310

WGK Germany3

RTECS number KG7745000

Customs code: 2937.23.5050