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Urocortisol
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Name

Urocortisol

 EINECS N/A
CAS No. 53-02-1 Density 1.253g/cm3
PSA 97.99000 LogP 1.65330
Solubility N/A Melting Point −108 °C(lit.)
Formula C21H34 O5 Boiling Point 65-67 °C(lit.)
Molecular Weight 366.498 Flash Point 297.6°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes R36/37
Molecular Structure Molecular Structure of 53-02-1 (TETRAHYDROCORTISOL) Hazard Symbols Xi
Synonyms

5b-Pregnan-20-one, 3a,11b,17,21-tetrahydroxy- (8CI); 3a,11b,17,21-Tetrahydroxy-5b-pregnan-20-one; 3a,11b,17,21-Tetrol-5b-pregnan-20-one; 3a,11b,17a,21-Tetrahydroxy-5b-pregnan-20-one; 5b-Pregnane-3a,11b,17a,21-tetrol-20-one; 5b-Tetrahydrocortisol; Ba 2682;Cortisol, tetrahydro-; NSC 57431; Tetrahydro F; Tetrahydrocompound F;Tetrahydrocortisol; Tetrahydrohydrocortisone; Urocortisol

Article Data 5

Urocortisol Chemical Properties

IUPAC Name: 2-Hydroxy-1-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CAS: 53-02-1
EINECS: 203-726-8
Following is the Molecular Structure of Urocortisol (53-02-1):

SMILES: O=C(CO)[C@@]4(O)CC[C@H]3[C@H]2[C@@H]([C@@]1([C@@H](C[C@H](O)CC1)CC2)C)[C@@H](O)C[C@@]34C
InChI: InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
InChIKey: AODPIQQILQLWGS-GXBDJPPSBG
Std.InChI: InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
Std.InChIKey: AODPIQQILQLWGS-GXBDJPPSSA-N
Molecular Formula: C21H34O5
Molecular Weight: 366.49
Melting Point: −108℃(lit.)
Boiling Point: 545.1℃ at 760mmHg
Flash Point: 297.6℃
Molar Volume: 292.2cm3
Density: 1.253g/cm3
Index of Refraction: 1.579
Molar Refractivity: 97.19cm3
Surface Tension: 57dyne/cm
Polarizability: 38.52 10-24cm3
Enthalpy of Vaporization: 94.73kJ/mol
Vapour Pressure: 3.71E-14mmHg at 25℃

Urocortisol Toxicity Data With Reference

1.    

add-hmn-lvr 2 mmol/L

     MUREAV    Mutation Research. 370 (1996),49.

Urocortisol Safety Profile

Hazard Codes:  Xi Irritant.
Risk Statements: 36/37
R36/37: Irritating to eyes and respiratory system.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
RIDADR: UN 2056 3/PG 2
WGK: Germany 1
RTECS: LU5950000
F: 3-10-23
Mutation data reported.

Urocortisol Specification

 Urocortisol (53-02-1),which also can be called for 3,11,17,21-Tetrahydroxy-,(3alpha,5beta,11beta)-pregnan-20-on ; 3-alpha,11-beta,17,21-Tetrahydroxy-5-beta-pregnan-20-on ; 3-alpha,11-beta,17,21-Tetrahydroxy-5-beta-pregnan-20-one ; 5-beta-Tetrahydrocortisol ; Ba2682 ; Tetrahydrof ; Tetrahydrohydrocortisone ; Tetrahydrofuran-215 .When Urocortisol (53-02-1) was heated,it emits acrid smoke and irritating vapors.This chemical is a clear liquid and it should be stored at 2-8℃.It's highly flammable.It may form explosive peroxides.

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