admin | Dioxolane,dioxane,Morpholine,Morpholine derivatives

4-acetamidoantipyrine

admin 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.

Cortisone

admin 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.

2-phenyl-1,3-indandione

admin 5月 11th, 2024 News

2-phenyl-1,3-indandione structural formula

Structural formula

Business number	01TD
Molecular formula	C15H10O2
Molecular weight	222.24
label	phenylindione, Phenindione

Numbering system

CAS number:83-12-5

MDL number:MFCD00003782

EINECS number:201-454-4

RTECS number:NK6125000

BRN number:1911699

PubChem number:24898344

Physical property data

1. Character:It is white or milky white soft crystal; almost odorless and tasteless

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

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC):148-151

5. Boiling point (ºC,Normal pressure):243.3

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain

17. Explosion limit (%,V/V): Unsure

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

19. Solubility:Very slightly soluble in water, slightly soluble in ethanol, ether, soluble in chloroform

Toxicological data

Acute toxicity:

Population size TDL0: 42500 ug/kg/17D-I; Population size LDL0?48mg/kg/17D-I; Human TDL0?22mg/kg/ 17D-I

Human LDL0: 1683mg/kg/31D-I;

Rat caliber LD50: 163 mg/kg; Rat abdominal cavity LD50 ?190 mg/kg

Mouse caliber LD50: 175 mg/kg; Mouse subcutaneous LD50 : 140mg/kg;

Mouse VeinLD50?130mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index:63.13

2. Molar volume (m³/mol??175.7

3. isotonic specific volume (90.2K):474.6

4. Surface Tension (dyne/cm):53.2

5. Polarizability?10^-24cm³):25.02

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors:0

3. Number of hydrogen bond acceptors:2

4. Number of rotatable chemical bonds:1

5. Number of tautomers:2

6. Topological molecular polar surface area (TPSA): 34.1

7. Number of heavy atoms: 17

8. Surface charge:0

9. Complexity:304

10. Isotopes Number of atoms:0

11. OK Number of atomic stereocenters:0

12. No Determine the number of atomic stereocenters:0

13. Determine the number of stereocenters of chemical bonds:0

14. No Determine the number of stereocenters of chemical bonds:0

15. Total Number of price key units:1

Properties and stability

None yet

Storage method

Avoid light and store in an airtight container.

Synthesis method

None yet

Purpose

It is an oral anticoagulant, its effect is similar to warfarin sodium, after use18—24Hours Function and maintain24—48hour. Used for thrombophlebitis, pulmonary embolism, coronary thrombosis, post-operative thrombosis, etc.

Articles posted by: admin

4-acetamidoantipyrine

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

Cortisone

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

2-phenyl-1,3-indandione

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT