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1173-26-8

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Basic Information
CAS No.: 1173-26-8
Name: CORTICOSTERONE 21-ACETATE
Article Data: 13
Molecular Structure:
Molecular Structure of 1173-26-8 (CORTICOSTERONE 21-ACETATE)
Formula: C23H32 O5
Molecular Weight: 388.504
Synonyms: Corticosteroneacetate (6CI); Corticosterone, 21-acetate (7CI,8CI); Cort A; NSC 81764; SKF5654
Density: 1.2g/cm3
Melting Point: 151oC
Boiling Point: 542.2°C at 760 mmHg
Flash Point: 183.5°C
Hazard Symbols: Xi
Risk Codes: R43
Safety: An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits acrid smoke and fumes. See also CORTISOL.
PSA: 80.67000
LogP: 3.23750
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Chemistry

Molecule structure of Corticosterone acetate (CAS NO.1173-26-8):

IUPAC Name: [2-(11-Hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate 
Molecular Weight: 388.49718 g/mol
Molecular Formula: C23H32O5 
Density: 1.2 g/cm3 
Melting Point: 151 °C
Boiling Point: 542.2 °C at 760 mmHg 
Flash Point: 183.5 °C
Index of Refraction: 1.556
Molar Refractivity: 103.58 cm3
Molar Volume: 322.1 cm3
Polarizability: 41.06×10-24 cm3
Surface Tension: 49 dyne/cm
Enthalpy of Vaporization: 94.31 kJ/mol
Vapour Pressure: 5.14E-14 mmHg at 25 °C
XLogP3: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Tautomer Count: 15
Exact Mass: 388.224974
MonoIsotopic Mass: 388.224974
Topological Polar Surface Area: 80.7
Heavy Atom Count: 28
Complexity: 739
Canonical SMILES: CC(=O)OCC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
InChI: InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3
InChIKey: WKQCPUMQBMFPLC-UHFFFAOYSA-N
EINECS: 214-635-8
Product Categories of Corticosterone acetate (CAS NO.1173-26-8): Biochemistry; Hydroxyketosteroids; Steroids

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 43 
R43:May cause sensitization by skin contact.
Safety Statements: 36 
S36:Wear suitable protective clothing.
RTECS: GM7820000
An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits acrid smoke and fumes. See also CORTISOL.

Specification

 Corticosterone acetate (CAS NO.1173-26-8) is also named as 11-beta,21-Dihydroxypregn-4-ene-3,20-dione acetate ; 4-08-00-02907 (Beilstein Handbook Reference) ; BRN 3225312 ; Cort A ; Corticosterone 21-acetate ; NSC 81764 ; Pregn-4-ene-3,20-dione, 11-beta,21-dihydroxy-, 21-acetate ; Pregn-4-ene-3,20-dione, 11beta,21-dihydroxy-, 21-acetate ; SKF 5654 ; Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11-beta)- (9CI) .