benztropine mesylate

Structural formula of benztropine mesylate

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

None yet

Molecular structure data

None yet

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

��; mso-bidi-font-family: 宋体”>14. Uncertain number of 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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27238

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