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DL-homatropine hydrobromide

admin 5月 7th, 2024 News

DL-homatropine hydrobromide structure formula

Structural formula

Physical competition number	0151
Molecular formula	C16H22BrNO3
Molecular weight	356.3
label	homatropine hydrobromide, Alpha-Hydroxyphenylacetate Hydrobromide, 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, Phenyl glycoltropine hydrobromide, Tropine mandelate hydrobromide, anticholinergics, Mydriatic medicine

Numbering system

CAS number:51-56-9

MDL number:MFCD00012676

EINECS number:200-105-3

RTECS number:YM5602000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: white orthorhombic bipyramidal prism crystal or powder. Odorless. Very bitter taste.

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

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

4. Melting point (ºC): 212 (partially decomposed)

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

6. Boiling point (ºC, 5.2kPa ): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º) : Undetermined

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. 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: 1g product dissolves in 6ml water , 40ml ethanol, 420ml chloroform, insoluble in ether. Its solubility decreases with increasing temperature.

Toxicological data

1. Acute toxicity:; rat abdominal LD50: 154mg/kg; mouse intravenous LD50: 107mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 76.15

2. Molar volume (cm³/mol): 226.1

3. Isotonic specific volume (90.2K ): 606.0

4. Surface tension (dyne/cm): 51.5

5. Polarizability (10-24cm3): 30.19

Compute chemical data

None

Properties and stability

None

Storage method

Should be sealed, dry and protected from light.

Synthesis method

None

Purpose

This product is a synthetic anticholinergic drug that blocks acetylcholine and paralyzes the pupillary sphincter and cycloplegic muscles, causing mydriasis and accommodation paralysis. It is faster and weaker than atropine and is suitable for eye examinations. and optometry.

N-cyclohexyl-2-benzothiazole sulfenic acid amide

admin 5月 7th, 2024 News

N-cyclohexyl-2-benzothiazole sulfenic acid amide structural formula

Structural formula

Physical competition number	0290
Molecular formula	C13H16N2S2
Molecular weight	264.41
label	Accelerator CM CBS, Accelerator CM CBS, accelerator, Catalysts and auxiliaries

Numbering system

CAS number:95-33-0

MDL number:MFCD00022872

EINECS number:202-411-2

RTECS number:DL6250000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: white or light gray powder.

2. Relative density (g/mL, 20?): 1.27-1.30

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

4. Melting point (ºC): 90-108

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

6. Boiling point (ºC, KPa): Undetermined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturation Vapor pressure (kPa, ºC): 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 benzene; methylene chloride; tetracycline Carbon chloride; ethyl acetate; acetone, slightly soluble in ethanol and gasoline, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 77.63

2. Molar volume (cm³/mol): 208.9

3. Isotonic specific volume (90.2K ): 578.4

4. Surface tension (dyne/cm): 58.6

5. Polarizability (10-24cm3): 30.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 78.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 244

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14.NoThe number of stereocenters of certain chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

1. Soluble in benzene, methylene chloride, carbon tetrachloride, ethyl acetate, acetone, slightly soluble in ethanol and gasoline, insoluble in water. It can gradually decompose when exposed to heat for a long time.
2. This product has low toxicity.
3. It can gradually decompose when exposed to heat for a long time.

Storage method

Store in a cool, dry and ventilated place, protected from moisture, fire and sun. Storage period is 6 months. It may clump easily during long-term storage, but it does not affect use.

Synthesis method

It is obtained by the reaction of accelerator M (2-thiol benzothiazole) and cyclohexylamine. Mix accelerator M and cyclohexylamine aqueous solution, add sodium hypochlorite dropwise under stirring to oxidize to obtain a crude product, separate the solid material, wash it with water until neutral, and dry it below 75°C to obtain the finished product.

Purpose

Mainly used in tires, rubber shoes, rubber hoses, tapes, cables, general industrial products, etc.

atropine

admin 5月 7th, 2024 News

Atropine structural formula

Structural formula

Physical competition number	0150
Molecular formula	C9H23NO3
Molecular weight	289.37
label	(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propionate, belladonnaine, Solanine, m-methoxybenzaldehyde, 3-Methoxybenzaldehyde, Solanin, solanine, Eggplant spirit, Hyoscyamine, Tropine tropate, endo-(±)-?-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

Numbering system

CAS number:51-55-8

MDL number:MFCD00022622

EINECS number:200-104-8

RTECS number:CK0700000

BRN number:91260

PubChem number:24890401

Physical property data

1. Properties: White needle-like crystals. Sensitive to light and air. Sublime at 93-110? in high vacuum. 2. Density (g/mL, 25/4?): Not determined

3. Relative vapor density (g/mL, air=1): Not determined

4. Melting point (ºC): 2855. 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): Undetermined

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 and water (octanol/ Log value of the distribution coefficient (water): Undetermined

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

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

19. Solubility: 1g is soluble in 455ml water, 90ml 80? water, 2ml ethanol, 1.2ml 60? ethanol, 27ml glycerol, 25ml ether and 1ml chloroform, also soluble in benzene and dilute acid. The pH of a 0.0015mol/L solution is 10.0

Toxicological data

1. Acute toxicity: Rat oral LD50: 500mg/kg

Mouse oral LD50: 75mg/kg

Ecological data

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. MooreEmissivity: 80.78

2. Molar volume (cm³/mol): 242.4

3. Isotonic specific volume (90.2K): 646.1

4. Surface tension (dyne/cm): 50.4

5. Polarizability (10-24cm3): 32.02

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 49.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 353

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure

Avoid light, open flame, and high temperature

Storage method

Filled with argon, sealed at 0 degrees Celsius, and stored in a dry place away from light.

Synthesis method

Hyoscyamine (L-body) is extracted from belladonna leaves, and then refined through racemization and recrystallization. It can also be obtained artificially.

Purpose

Atropine is a parasympathetic nerve inhibitor that can be used as an eye dilator and laxative; it can relieve hay fever, cold nasal obstruction and intestinal spasm; it can be used to treat nocturia in children, and is sometimes used to relieve ureteral and bile duct spasm; and It can be used to treat poisoning caused by organophosphorus. As an anticholinergic drug, atropine’s various pharmacological effects are not conducive to its clinical application. Some substitutes with specific effects have been synthesized, such as homatropine as a pupil dilator. Atropine is highly toxic and can cause blurred vision, stasis of secretion, vasodilation, high fever, excitement, agitation and delirium when the dose is too high. It is an antagonist of morphine, pilocarpine, physostigmine, etc.

Biochemical research. A reagent for assaying gold.

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DL-homatropine hydrobromide

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

N-cyclohexyl-2-benzothiazole sulfenic acid amide

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

atropine

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT