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estrone

5月 11th, 2024 News

Estrone Structural Formula

Structural formula

Business number 015W
Molecular formula C18H22O2
Molecular weight 270.37
label

estrogen,

Estrone; estrone; 3-hydroxyestradiol 1,3,5-(10)-trien-17one; estrogen; oxysterol; estradiol; folliculin;,

1,3,5(10)-Estratrien-3-ol-17-one,

3-Hydroxy-1,3,5(10)-estratrien-17-one,

Folliculin,

Theelin,

Kolpon,

Ketohydrocyestrin,

Oestrone,

for uterine agenesis

Numbering system

CAS number:53-16-7

MDL number:MFCD00003620

EINECS number:200-164-5

RTECS number:KG8575000

BRN number:1915077

PubChem number:24278427

Physical property data

1. Properties: White to milky white crystalline powder

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g /mL, air=1): Undetermined

4. Melting point (ºC): 280

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): +158°?+165°

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure ( kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient relationship Value: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Almost insoluble in water. Soluble in ethanol, chloroform, boiling ethanol, acetone, dioxane and vegetable oil. Slightly soluble in absolute ethanol, ether and alkali.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 78.04

2. Molar volume (cm3/mol): 232.1

3. Isotonic specific volume (90.2K ): 604.7

4. Surface tension (dyne/cm): 46.0

5. Polarizability (10-24cm3): 30.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 18

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 418

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Estrone is an estrogen secreted by mature ovarian follicles (mainly theca cells) and the corpus luteum. It has the same effect as estradiol and can promote and regulate female accessory sexual organs. development, prompting the emergence of female secondary sexual characteristics.

Storage method

Store in a sealed and protected place from light

Synthesis method

1. Made from 17?-estradiol under the action of 17?-hydroxysteroid dehydrogenase.

2.

Purpose

1. It is mainly used to treat uterine hypoplasia, menstrual disorders, menopausal disorders, etc. It is rarely used due to its difficult source.

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4-acetamidoantipyrine

5月 11th, 2024 News

4-acetamidoantipyrine structural formula

Structural formula

Business number 01TE
Molecular formula C13H15N3O2
Molecular weight 245.28
label

4-acetamidoantipyrine,

N-acetyl-4-aminophenazone,

N-acetyl-4-aminoantipyrine,

4-acetamidoantipyrine,

N-Acetyl-4-aminophenazone,

4-Acetamidoantipyrine

Numbering system

CAS number:83-15-8

MDL number:MFCD00003141

EINECS number:201-457-0

RTECS number:None

BRN number:None

PubChem number:24890565

Physical property data

1. Properties: light yellow crystal.

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 200-203

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in water and ethanol, appropriate amount It is soluble in hot ethyl acetate and chloroform, slightly soluble in benzene, and insoluble in naphtha.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 68.21

2. Molar volume (cm3/mol): 194.1

3. Isotonic specific volume (90.2K): 525.9

4. Surface tension (dyne/cm): 53.8

5. Polarizability (10-24cm3): 27.04

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP):??

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

p>

5. Number of tautomers: 2

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 397

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenters Number of centers: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Should be kept sealed, dry and protected from light.

Synthesis method

None yet

Purpose

1. Organic synthesis.

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Cortisone

5月 11th, 2024 News

Cortisone structural formula

Structural formula

Business number 015V
Molecular formula C21H28O5
Molecular weight 360.44
label

11-dehydro-17-hydroxycorticosterone,

Adrenocorticotropic hormone,

17?,21-Dihydroxy-4-pregnene-3,11,20-trione,

4-Pregnene-17?,21-diol-3,11,20-trione,

Medical use

Numbering system

CAS number:53-06-5

MDL number:MFCD00003610

EINECS number:200-162-4

RTECS number:GM9020000

BRN number:1356062

PubChem number:24278304

Physical property data

1. Properties: White crystalline powder. The secretion of the adrenal glands.

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 220~224? (partial decomposition).

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [?]D25 +209° (C=1.2, 95% ethanol Medium), [?]54625 +269° (C=0.125, in benzene)

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient Log value: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ethanol, acetone, and cold methanol, rarely soluble in ether, benzene and chloroform, slightly soluble in water (25?, 28mg/100ml), the aqueous solution is neutral. It appears as a deep red solution in concentrated sulfuric acid with dark green fluorescence. Heating can reduce Benedict’s solution.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 94.17

2. Molar volume (cm3/mol): 280.3

3. Isotonic specific volume (90.2K ): 769.4

4. Surface tension (dyne/cm): 56.7

5. Polarizability (10-24cm3): 37.33 p>

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 45

6. Topological molecular polar surface area (TPSA): 91.7

p>

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 724

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 6

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable properties under normal temperature and pressure

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

1. It can be separated from adrenal gland extract, and can also be prepared from bile acid and yam saponin.

Purpose

1. Mainly used for replacement treatment of adrenal insufficiency, but now hydrocortisone has been given priority for this disease. Because cortisone itself is inactive and must first be converted into hydrocortisone in the liver, certain liver diseases will affect the reliability of its action.

2.The medicine is easily absorbed by the skin and is used for the physical therapy of acute and chronic eczema, pruritus and various dermatitis. It is also used in lotions, creams and hair tonics to regulate the balance of electrolytes and water in the body, as well as the metabolism of sugar and protein. It has anti-inflammatory, anti-allergic and anti-granulation effects.

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