ChemicalBook--->CAS DataBase List--->56-47-3

56-47-3

56-47-3 Structure

56-47-3 Structure
IdentificationMore
[Name]

Deoxycorticosterone acetate
[CAS]

56-47-3
[Synonyms]

11-DEOXYCORTICOSTERONE ACETATE
11-desoxycorticosterone acetate
21-ACETOXY-4-PREGNENE-3,20-DIONE
21-ACETOXYPROGESTERONE
21-HYDROXY-4-PREGNENE-3,20-DIONE 21-ACETATE
21-HYDROXYPROGESTERONE 21-ACETATE
21-HYDROXYPROGESTERONE ACETATE
4-PREGNEN-21-OL-3,20-DIONE 21-ACETATE
4-PREGNEN-21-OL-3,20-DIONE ACETATE
CORTEXONE ACETATE
DELTA4-PREGNEN-21-OL-3, 20-DIONE ACETATE
DEOXYCORTICOSTERONE ACETATE
DESOXYCORTICOSTERONE ACETATE
DESOXYCORTONE ACETATE
DOCA
DOC ACETATE
11-deoxycorticosterone21-acetate
20-dione,21-hydroxy-pregn-4-ene-acetate
21-acetoxy-3,20-diketopregn-4-ene
21-Acetyloxypregn-4-ene-3,20-dione
[EINECS(EC#)]

200-275-9
[Molecular Formula]

C23H32O4
[MDL Number]

MFCD00003660
[Molecular Weight]

372.5
[MOL File]

56-47-3.mol
Chemical PropertiesBack Directory
[Melting point ]

157°C
[alpha ]

D20 +168 to +176° (dioxane)
[Boiling point ]

421.94°C (rough estimate)
[density ]

1.0415 (rough estimate)
[refractive index ]

175 ° (C=1, Dioxane)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

H2O: insoluble
[form ]

neat
[color ]

White to Off-White
[biological source]

synthetic (organic)
[Water Solubility ]

4mg/L(25 ºC)
[Merck ]

2901
[BRN ]

2570798
[InChI]

InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
[InChIKey]

VPGRYOFKCNULNK-ACXQXYJUSA-N
[SMILES]

C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
[LogP]

3.080
[CAS DataBase Reference]

56-47-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H373-H360
[Precautionary statements ]

P260-P314-P501
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2811
[WGK Germany ]

3
[RTECS ]

HG0525000
[HazardClass ]

IRRITANT
[HS Code ]

2937290000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Calcium oxide-->Potassium Acetate-->Progesterone
[Preparation Products]

5α-Pregnan-21-ol-3-20-dione crystalline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

21-Hydroxy-4-pregnene-3,20-dione 21-acetate(56-47-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Adrenocortical/mineralocorticoid Steroid.
[Definition]

ChEBI: Deoxycorticosterone acetate is a corticosteroid hormone.
[Brand name]

Doca (Organon); Percorten (Novartis) [Name previously used: Deoxycortone.].
[General Description]

Deoxycorticosterone acetate is an endogenous neurosteroid found in brain and peripheral circulation, which is produced by progesterone. It is both a mineralocorticoid and a glucocorticoid. It is used to treat adrenocortical insufficiency or Addison′s disease. Deoxycorticosterone acetate improves insulin sensitivity. It acts as a precursor to glucocorticoid corticosterone and the GABAergic neuroactive steroid (3α,5α)-3,21-dihydroxypregnan-20-one.
[storage]

Store at -20°C
[Purification Methods]

11-Deoxycorticosterone acetate recrystallises from EtOH as needles or Me2CO/hexane, and sublimes at high vacuum. It is partly soluble in MeOH, Me2CO, Et2O and dioxane but insoluble in H2O. [Reichstein & Euw Helv Chim Acta 23 136 1940, Romo et al. J Am Chem Soc 79 5034 1957; NMR: Shoolery & Rogers J Am Chem Soc 80 5121 1959, Beilstein 8 IV 2195.]
Spectrum DetailBack Directory
[Spectrum Detail]

Deoxycorticosterone acetate(56-47-3)MS
Deoxycorticosterone acetate(56-47-3)1HNMR
Deoxycorticosterone acetate(56-47-3)13CNMR
Deoxycorticosterone acetate(56-47-3)IR1
Deoxycorticosterone acetate(56-47-3)IR2
Deoxycorticosterone acetate(56-47-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

56-47-3(sigmaaldrich)
[TCI AMERICA]

Deoxycorticosterone Acetate,>98.0%(LC)(56-47-3)
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