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Estra-4,9-diene-3,17-dione(CAS No. 5173-46-6)

Estra-4,9-diene-3,17-dione C19H20O2 (cas 5173-46-6) Molecular Structure

5173-46-6 Structure

Identification and Related Records

【Name】
Estra-4,9-diene-3,17-dione
【CAS Registry number】
5173-46-6
【Synonyms】
19-Norandrosta-4,9-diene-3,17-dione
【Molecular Formula】
C19H20O2 (Products with the same molecular formula)
【Molecular Weight】
280.36
【Inchi】
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3
【Canonical SMILES】
C1=NC2=C(C(=N1)[SeH])N=CN2C3C(C(C(O3)CO)O)O
【MOL File】
5173-46-6.mol

Chemical and Physical Properties

【Appearance】
white or almost white crystalline powder
【Density】
1.16 g/cm3
【Melting Point】
131-134°C
【Boiling Point】
466.5 °C at 760 mmHg
【Refractive Index】
1.575
【Flash Point】
173.4 °C
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:331.18668 [g/mol]
Molecular Formula:C10H12N4O4Se
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:332.002377
MonoIsotopic Mass:332.002377
Topological Polar Surface Area:114
Heavy Atom Count:19
Formal Charge:0
Complexity:339
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Specification】

?Estra-4,9-diene-3,17-dione (CAS NO.5173-46-6) is also named as 19-norandrosta-4,9-diene-3,17-dione .?Estra-4,9-diene-3,17-dione (CAS NO.5173-46-6) is white or almost white crystalline powder.

Use and Manufacturing

【Usage】

A potential metabolitie of STS 557 (Dienogest). A steroid with antiglucocorticoid activity

Biomedical Effects and Toxicity

【Therapeutic Uses】
A potential metabolitie of STS 557 (Dienogest). A steroid with antiglucocorticoid activity

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