19-HYDROXY-4-ANDROSTENE-3,17-DIONE

Molecule structure of 19-Hydroxyandrost-4-ene-3,17-dione (CAS NO.510-64-5):

IUPAC Name: (8R,9S,10S,13S,14S)-10-(Hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione 
Molecular Weight: 302.40794 g/mol
Molecular Formula: C₁₉H₂₆O₃ 
Density: 1.19 g/cm³ 
Melting Point: 168-169 °C(lit.)
Boiling Point: 485.4 °C at 760 mmHg 
Flash Point: 261.5 °C
Index of Refraction: 1.571
Molar Refractivity: 83.25 cm³
Molar Volume: 253.2 cm³
Surface Tension: 49.2 dyne/cm 
Enthalpy of Vaporization: 86.53 kJ/mol
Vapour Pressure: 1.84E-11 mmHg at 25 °C
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 10
Exact Mass: 302.188195
MonoIsotopic Mass: 302.188195
Topological Polar Surface Area: 54.4
Heavy Atom Count: 22
Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CO
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CO
InChI: InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
InChIKey: XGUHPTGEXRHMQQ-BGJMDTOESA-N
EINECS: 208-116-5
Product Categories: All Inhibitors; Inhibitors; Steroids

 19-Hydroxyandrost-4-ene-3,17-dione (CAS NO.510-64-5) is a novel substituted estrogen as aromatase inhibitor.

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36/37/39-27-26 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S27:Take off immediately all contaminated clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

 19-Hydroxyandrost-4-ene-3,17-dione (CAS NO.510-64-5) is also named as NSC 74233 ; Androst-4-ene-3,17-dione, 19-hydroxy- . 19-Hydroxyandrost-4-ene-3,17-dione (CAS NO.510-64-5) is off-white solid.