CAS No.52-39-1,ALDOSTERONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	52-39-1
Name:	ALDOSTERONE
Article Data:	13

Formula:	C₂₁H₂₈O₅
Molecular Weight:	360.45
Synonyms:	Aldosterone(8CI);(+)-Aldosterone;11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al;11b,21-Dihydroxy-3,20-diketopregn-4-ene-18-al;11b,21-Dihydroxypregn-4-ene-3,18,20-trione;18-Formyl-11b,21-dihydroxy-4-pregnene-3,20-dione;18-Oxocorticosterone;Aldocorten;Aldocortin;Electrocortin;Elektrocortin;NSC 73856;Reichstein X;d-Aldosterone;Aldosterone;
EINECS:	200-139-9
Density:	1.28 g/cm³
Melting Point:	170-172 °C
Boiling Point:	568.1 °C at 760 mmHg
Flash Point:	311.4 °C
Solubility:	51.2 mg/L at 37 °C in water
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	91.67000
LogP:	1.84570

Synthetic route

: 124537-57-1
3,3;20,20-bis-ethanediyldioxy-11β,21-dihydroxy-pregn-5-en-18-al

: 52-39-1
aldosterone

Conditions

Conditions	Yield
With hydrogenchloride

: 145-13-1
Pregnenolone

A: 50-22-6
Corticosterone

B: 52-39-1
aldosterone

C: 10385-97-4
18,21-dihydroxy-4-pregnen-3,20-dione

Conditions

Conditions	Yield
With air; dibutyric cyclic AMP; NaHCO3 buffer; normal male Sprague-Dawley rat adrenal glands after feeding for 72 h with 1 percent NaCl at 37℃; for 3h; Product distribution; tritium labeled study;

...Expand

: 297-91-6
aldosterone 21-acetate

: 52-39-1
aldosterone

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: chromium (VI)-oxide; acetic acid 2: methanol; concentrated aqueous hydrochloric acid 3: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr 4: dioxane; lithium alanate; diethyl ether 5: aqueous HCl View Scheme

: 2507-89-3
11β,21-dihydroxy-3,20-dioxo-pregn-4-en-18-oic acid-11-lactone

: 52-39-1
aldosterone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr 2: dioxane; lithium alanate; diethyl ether 3: aqueous HCl View Scheme

: 3329-80-4
21-acetoxy-11β-hydroxy-3,20-dioxo-pregn-4-en-18-oic acid-lactone

: 52-39-1
aldosterone

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: methanol; concentrated aqueous hydrochloric acid 2: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr 3: dioxane; lithium alanate; diethyl ether 4: aqueous HCl View Scheme

: 86698-82-0
3,3;20,20-bis-ethanediyldioxy-11β,21-dihydroxy-pregn-5-en-18-oic acid-11-lactone

: 52-39-1
aldosterone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dioxane; lithium alanate; diethyl ether 2: aqueous HCl View Scheme

: 117824-25-6
C21H30O2*C42H70O35

A: 80-75-1
11-alpha-hydroxyprogesterone

B: 20-hydroxy-pregnan-18-oic acid

C: 52-39-1
aldosterone

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; magnesium sulfate heptahydrate; L-asparagine; D-glucose In ethanol; water at 30℃; for 72h; pH=5.5; Time; Concentration; Microbiological reaction; Overall yield = 62.95 %Chromat.;	A 48.25 %Chromat. B 6.84 %Chromat. C 7.86 %Chromat.

...Expand

: 57-83-0
Progesterone

A: 80-75-1
11-alpha-hydroxyprogesterone

B: 20-hydroxy-pregnan-18-oic acid

C: 52-39-1
aldosterone

Conditions

Conditions	Yield
With potassium dihydrogenphosphate; magnesium sulfate heptahydrate; L-asparagine; D-glucose; β‐cyclodextrin In ethanol; water at 30℃; for 48h; pH=5.5; Solvent; Reagent/catalyst; Time; Concentration; Microbiological reaction; Overall yield = 87.15 %Chromat.;	A 71.33 %Chromat. B 8.58 %Chromat. C 7.24 %Chromat.

...Expand

: 52-39-1
aldosterone

: 4-bromoaldosterone

Conditions

Conditions	Yield
With oxone; triethylamine; sodium bromide In tetrahydrofuran; water at 20℃; for 3h;	83%

: 52-39-1
aldosterone

: C21H27ClO4

Conditions

Conditions	Yield
Stage #1: aldosterone With dmap; methanesulfonyl chloride; triethylamine In dichloromethane at 0 - 20℃; for 1h; Stage #2: With lithium chloride In N,N-dimethyl-formamide at 60℃; for 2h;	80.9%
Stage #1: aldosterone With dmap; methanesulfonyl chloride; triethylamine In dichloromethane at 0 - 20℃; for 1h; Stage #2: With lithium chloride In N,N-dimethyl-formamide at 60℃; for 2h;	80.9%

Raw Materials

297-91-6

145-13-1

Total:94 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

Aldosterone is a steroid hormone produced by the adrenal cortex in the adrenal gland to regulate sodium and potassium balance in the blood. With the CAS registry number 52-39-1, it is also named as 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al. The product's categories are TPI; Steroids; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is white solid, which should be stored in sealed place at 2-8 °C. Its molecular formula is C₂₁H₂₈O₅ and molecular weight is 360.44.

Physical properties about Aldosterone are: (1)ACD/LogP: 0.037; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 24.96; (7)ACD/KOC (pH 7.4): 24.96; (8)#H bond acceptors: 5 ; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 94.35 cm³; (13)Molar Volume: 281.269 cm³; (14)Polarizability: 37.403 10-24cm³; (15)Surface Tension: 56.9980010986328 dyne/cm ; (16)Density: 1.281 g/cm³; (17)Flash Point: 311.422 °C; (18)Enthalpy of Vaporization: 97.943 kJ/mol; (19)Boiling Point: 568.095 °C at 760 mmHg;

Uses of Aldocortin: This chemical is an adrenocortical steroid which exerts regulatory influence on metabolism of electrolytes and water. And it is a mineralocorticoid produced by the adrenal cortex that induces urinary excretion of K⁺.

When you are using Aldosterone, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing to avoid contact with skin and eyes. Moreover, please do not breathe dust.

People can use the following data to convert to the molecule structure.
(1)SMILES: OCC(=O)[C@H]3C[C@H]4C2CC/C1=C/C(=O)CC[C@]1(C)[C@H]2[C@@H](O)C[C@]4(C=O)C3
(2)InChI: InChI=1/C21H28O5/c1-20-5-4-14(24)7-13(20)2-3-15-16-6-12(18(26)10-22)8-21(16,11-23)9-17(25)19(15)20/h7,11-12,15-17,19,22,25H,2-6,8-10H2,1H3/t12-,15,16-,17-,19+,20-,21-/m0/s1
(3)InChIKey: KMEFFAZKHCSBGC-TURUQIDBBX