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CAS No.: | 1239-31-2 |
---|---|
Name: | Epiandrosterone acetate |
Article Data: | 71 |
Molecular Structure: | |
Formula: | C21H32O3 |
Molecular Weight: | 332.483 |
Synonyms: | 17-Oxo-5a-androstan-3b-yl acetate;3b-Acetoxy-5a-androstan-17-one;3b-Acetoxyepiandrosterone;5a-Androstan-3b-acetoxy-17-one;5a-Androstan-3b-ol-17-one acetate; |
EINECS: | 212-714-1 |
Density: | 1.09 g/cm3 |
Melting Point: | 169-173 °C |
Boiling Point: | 424.6 °C at 760 mmHg |
Flash Point: | 182.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-40 |
Safety: | 16-23-36 |
PSA: | 43.37000 |
LogP: | 4.52990 |
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IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[A]phenanthren-3-Yl] acetate
Molecular Weight: 332.47698 g/mol
Molecular Formula: C21H32O3
Density: 1.09 g/cm3
Melting Point: 169-173°C
Flash Point: 182.8 °C
Boiling Point: 424.6 °C at 760 mmHg
Vapour Pressure: 2.04E-07 mmHg at 25 °C
Enthalpy of Vaporization: 67.92 kJ/mol
Molecular structure of Epiandrosterone Acetate (CAS NO.1239-31-2):
XLogP3: 4.3
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 332.235145
MonoIsotopic Mass: 332.235145
Topological Polar Surface Area: 43.4
Heavy Atom Count: 24
Canonical SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4=O)C)C
Isomeric SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)
InChI: InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/m0/s1
InChIKey: FDCINQSOYQUNKB-HGDYXINXSA-N
Product Categories: Pharmaceutical Intermediates; Steroids
Epiandrosterone Acetate (CAS NO.1239-31-2) can be used as intermediate contraceptives norethisterone .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 4900mg/kg (4900mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 32, 1974. | |
mouse | LD50 | oral | > 8gm/kg (8000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 32, 1974. |
Low toxicity by ingestion. Questionable carcinogen with experimental data reported. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Epiandrosterone Acetate (CAS NO.1239-31-2) is also named as (3-beta,5-alpha)-3-(Acetyloxy)androstan-17-one ; 17-Oxo-5alpha-androstan-3beta-yl acetate ; 3beta-Acetoxy-5alpha-androstan-17-one ; 4-08-00-00644 (Beilstein Handbook Reference) ; 5alpha-Androstan-3beta-ol-17-one acetate ; BRN 2625063 ; Isoandrosterone acetate ; NSC 120612 ; epi-Androsterone acetate .