128-20-1

Name Eltanolone
CAS 128-20-1
Molecular Formula C21H34O2
MDL Number MFCD00067137
Molecular Weight 318.49
MOL File 128-20-1.mol
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Chemical Properties

Melting point  149°C
alpha  D23 +59.6° (c = 0.3 in chloroform); D26 +108.5 ±1° (c = 9.23 mg/1.23 ml abs ethanol)
Boiling point  397.64°C (rough estimate)
density  1.0234 (rough estimate)
refractive index  1.5344 (estimate)
storage temp.  Store at RT
solubility  Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
form  Solid
pka 15.12±0.70(Predicted)
color  White to Off-White
biological source synthetic (organic)
Water Solubility  8mg/L(room temperature)
InChI 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3
InChIKey AURFZBICLPNKBZ-UHFFFAOYSA-N
SMILES [H]C12CCC3C4CCC(C(C)=O)C4(C)CCC3C1(C)CC[C@H](O)C2
NIST Chemistry Reference 3Alpha-hydroxy-5beta-pregnan-20-one(128-20-1)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Warning
Hazard statements  H351
Precautionary statements  P281
Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  TU4384000
Storage Class 11 - Combustible Solids
Hazard Classifications Carc. 2
Toxicity
LD50 in mice, rats (mg/kg): 66 ± 10, 27.5 ± 2.4 i.v. (Gyermek)

Hazard Information

Material Safety Data Sheet(MSDS)

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