Atropine

Metronite and Atropine Structural Formula

Metronite and Atropine Structural Formula

Structural formula

Business number 015Q
Molecular formula C18H26N2O6
Molecular weight 366.41
label

Methyl atropine nitrate,

AMN,

Methylatropine nitrate

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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