Molecule structure of Neoprogestin (CAS NO.6795-60-4):
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-Ethenyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Weight: 300.43512 g/mol
Molecular Formula: C20H28O2
Density: 1.11 g/cm3
Boiling Point: 444 °C at 760 mmHg
Flash Point: 189.2 °C
Index of Refraction: 1.565
Molar Refractivity: 87.51 cm3
Molar Volume: 268.4 cm3
Polarizability: 34.69×10-24 cm3
Surface Tension: 44.3 dyne/cm
Enthalpy of Vaporization: 80.99 kJ/mol
Vapour Pressure: 9.48E-10 mmHg at 25 °C
XLogP3: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 8
Exact Mass: 300.20893
MonoIsotopic Mass: 300.20893
Topological Polar Surface Area: 37.3
Heavy Atom Count: 22
Complexity: 548
Defined Atom StereoCenter Count: 6
Canonical SMILES: CC12CCC3C(C1CCC2(C=C)O)CCC4=CC(=O)CCC34
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,12,15-18,22H,1,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey of Neoprogestin (CAS NO.6795-60-4): VOJYZDFYEHKHAP-XGXHKTLJSA-N
Experimental reproductive effects. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.
Neoprogestin (CAS NO.6795-60-4) is also named as 17-Hydroxy-17-alpha-vinyl-4-estren-3-one ; 17-Hydroxy-19-nor-17-alpha-pregna-4,20-dien-3-one ; 17-Vinyl-19-nortestosterone ; 19-Nor-17-alpha-vinyltestosterone ; Nor-progestelea ; Norvinisterona ; Norvinisterona [INN-Spanish] ; Norvinisterone ; Norvinisteronum ; Norvinisteronum [INN-Latin] ; SC 4641 ; UNII-7Q843V12Q0 .
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