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Canrenone Structure

Canrenone

Chemical Properties

Melting point 158-1600C
alpha  D +24.5° (chloroform)
Boiling point 416.25°C (rough estimate)
Density  1.1236 (rough estimate)
refractive index  1.5000 (estimate)
storage temp.  room temp
solubility  DMSO: soluble20mg/mL, clear
form  powder
color  white to beige
optical activity [α]/D +17 to +24°, c = 1 in chloroform-d
Water Solubility  272.4ug/L(25 ºC)
InChI InChI=1/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/s3
InChIKey UJVLDDZCTMKXJK-MUWITHSMNA-N
SMILES [C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C |&1:0,8,10,20,22,26,r|
LogP 2.54 at 25℃
CAS DataBase Reference 976-71-6
FDA UNII 78O20X9J0U
ATC code C03DA03
NIST Chemistry Reference Canrenone(976-71-6)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H351-H411
Precautionary statements P280
Hazard Codes  Xn,N
Risk Statements  40-51/53
Safety Statements  36/37-61
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
HS Code  29329990

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