Scopolamine butyrate

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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27884

author:

Previous article
Next article
Contact Us

Contact us

+86 - 152 2121 6908

Online consultation: QQ交谈

E-mail: sales@newtopchem.com

Working hours: Monday to Friday, 9:00-17:30, closed on holidays
Follow wechat
Scan wechat and follow us

Scan wechat and follow us

Follow Weibo
Back to top
Home
E-mail
Products
Search