Structural formula
| Business number | 03NC |
|---|---|
| Molecular formula | C22H29NO4S |
| Molecular weight | 403.54 |
| label |
Benztropine mesylate, aromatic compounds |
Numbering system
CAS number:132-17-2
MDL number:MFCD00074784
EINECS number:205-048-8
RTECS number:YM3150000
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
1, acute toxicity: human oral TDLO: 100ug/kg
Mouse transabdominal LD5O: 65mg/kg
Orally administered to rats LD5O: 940mg/kg
Rat subcutaneous LD5O: 353mg/kg
Mice orally LD5O: 91mg/kg
Mouse subcutaneously LD5O: 103mg/kg
Mouse intravenously LD5O: 24mg/kg
cat meridian LDLO: 33mg/kg
Guinea pig subcutaneously LD5O: 80mg/kg
2, mutagenicity: Escherichia coli DNA adduct: 10umol/L
Ecological data
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Molecular structure data
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 4
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA):66.8
7. Number of heavy atoms: 28
8. Surface charge: 0
9. Complexity: 433
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 2
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
6. Topological molecular polar surface area (TPSA): 66.8
7. Number of heavy atoms: 28
8. Surface charge: 0
9. Complexity: 433
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 2
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
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Storage method
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Synthesis method
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Purpose
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��; mso-bidi-font-family: 宋体”>14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
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Storage method
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Synthesis method
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Purpose
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