Atropine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:52-88-0

MDL number:MFCD00050294

EINECS number:200-156-1

RTECS number:CK2800000

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

1, acute toxicity: human intramuscular TDLo: 2ug/kg; rat oral LD50: 28mg/kg; rat oral Oral LD50: 1902 mg/kg; Mouse oral LD50: 1320mg/kg;
Mouse abdominal cavity LD50: 9mg/kg; Mouse vein LD50: 9300ug/kg; Guinea pig subcutaneous LD50: 95mg/ kg; pigeon subcutaneous LDLo: 40 mg/kg; frog subcutaneous LDLo ：50 mg/kg
2, Reproductive toxicity: Male rats subcutaneously TDLo : 5mg/kg, 1 day mating; female mice TDLo: 20g/kg, 1Mating days before

Ecological data

None yet

Molecular structure data

None yet

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: 6

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 109

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 406

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 3

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

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