13529-31-2

Name (2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane
CAS 13529-31-2
EINECS(EC#) 691-755-0
Molecular Formula C33H54N2O4
Molecular Weight 542.81
MOL File 13529-31-2.mol
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Chemical Properties

Melting point  176-180 °C
Boiling point  591.3±50.0 °C(Predicted)
density  1.13±0.1 g/cm3(Predicted)
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 8.86±0.20(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChIKey CSXHRHGXNQSNQW-XBVCNPEZNA-N
SMILES C[C@]12CC[C@]3([H])[C@]4(C[C@H](N5CCCCC5)[C@@H](OC(=O)C)C[C@]4([H])CC[C@@]3([H])[C@]1([H])C[C@H](N1CCCCC1)[C@@H]2OC(=O)C)C |&1:1,4,6,8,15,21,25,27,30,37,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332
WGK Germany  WGK 3
HS Code  2933399090
Storage Class 11 - Combustible Solids

Hazard Information

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