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56-47-3

Name Deoxycorticosterone acetate
CAS 56-47-3
EINECS(EC#) 200-275-9
Molecular Formula C23H32O4
MDL Number MFCD00003660
Molecular Weight 372.5
MOL File 56-47-3.mol
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Chemical Properties

Melting point  157°C
alpha  D20 +168 to +176° (dioxane)
Boiling point  421.94°C (rough estimate)
density  1.0415 (rough estimate)
refractive index  175 ° (C=1, Dioxane)
storage temp.  Sealed in dry,Room Temperature
solubility  H2O: insoluble
form  neat
color  White to Off-White
Water Solubility  4mg/L(25 ºC)
Merck  2901
BRN  2570798
InChI InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
InChIKey VPGRYOFKCNULNK-ACXQXYJUSA-N
SMILES C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
LogP 3.080
CAS DataBase Reference 56-47-3(CAS DataBase Reference)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2811
WGK Germany  3
RTECS  HG0525000
HazardClass  IRRITANT
HS Code  2937290000

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