Epoxy curing agent Knowledge Scopolamine butyrate

Scopolamine butyrate

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Structural formula of scopolamine butyrate

Structural formula

Business number 03XV
Molecular formula C21H30BrNO4
Molecular weight 440.37
label

hyoscyamine hydrobromide,

antispasmodic spirit,

Scopolamine bromide,

(-)-N-Butylscopolamine bromide

Numbering system

CAS number:149-64-4

MDL number:MFCD00078561

EINECS number:205-744-1

RTECS number:YM3500000

BRN number:None

PubChem number:24277872

Physical property data

1. Physical property data:


1.Properties: white or off-white crystalline powder


2.Melting point (ºC): 142-144 ºC


4.Specific curl: -18 to -20 (0.1g/ml


3.Solubility: Easily soluble in chloroform, water, slightly soluble in ethanol.

Toxicological data

2. Toxicological data:


1, acute toxicity: rat oral LD50: 1040 mg/kg;


Rat subcutaneous LD50: 450 mg/kg;


Rat intravenous LD50: 24 mg/kg;


Mouse oral LD50: 1170 mg/kg;


Mouse abdominal cavity LD50: 65 mg/kg;


Mouse subcutaneous LD50: 243 mg/kg;


Mouse intravenous LD50: 10300 ug/kg.

Ecological data

3. Ecological data:


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

Molecular structure data

None

Compute chemical data

4. Calculated chemical data:


1. Hydrogen Bonding Number of donors: 1


2. Hydrogen Bonding Number of receptors: 5


3. Rotatable Number of chemical bonds: 8


4. Topological molecules Polar surface area (TPSA):59.1


5. Heavy atoms Quantity: 27


6. Surface charge :0


7. Complexity :500


8. Isotope atomic number:0


9. 3 , Number of rotatable chemical bonds:8


4. Topological molecules Polar surface area (TPSA):59.1


5. Heavy atoms Quantity: 27


6. Surface charge :0


7. Complexity :500


8. Isotope atomic number:0


9. Determine the number of atomic stereocenters:3


10. Uncertain number of atomic stereocenters:2


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


12. Uncertain number of chemical bond stereocenters:0


13. Number of covalent bond units: 2

Properties and stability

Stable under normal temperature and pressure.

Storage method

Seal and store in a dry and cool place.

Synthesis method

White mandala from Solanaceae fabric(Datura metm L) Extracted from the dried flowers (Alpinia officinale).

Purpose

Pharmaceutical raw materials.

scii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Determine the number of atomic stereocenters:3


10. Uncertain number of atomic stereocenters:2


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


12. Uncertain number of chemical bond stereocenters:0


13. Number of covalent bond units: 2

Properties and stability

Stable under normal temperature and pressure.

Storage method

Seal and store in a dry and cool place.

Synthesis method

White mandala from Solanaceae fabric(Datura metm L) Extracted from the dried flowers (Alpinia officinale).

Purpose

Pharmaceutical raw materials.

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