Basic information
- Name:
Epiandrosterone acetate
- CAS No.:
1239-31-2
- Molecular Structure:
- Formula:
- C21H32O3
- Molecular Weight:
- 332.53
- 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;
- Density:
- 1.09 g/cm3
- Melting Point:
- 169-173 °C
- Boiling Point:
- 424.6 °C at 760 mmHg
- Flash Point:
- 182.8 °C
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Chemistry
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
Uses
Epiandrosterone Acetate (CAS NO.1239-31-2) can be used as intermediate contraceptives norethisterone .
Toxicity Data With Reference
| 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. |
Safety Profile
Low toxicity by ingestion. Questionable carcinogen with experimental data reported. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
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 .