structural formula
| business number | 01dn |
|---|---|
| molecular formula | c18h23n3o4s |
| molecular weight | 377.46 |
| label |
2-[n-(m-hydroxy)-p-toluidinemethyl]-2-imidazoline methanesulfonate, 2-(n-[m-hydroxyphenyl]-p-toluidinomethyl)imidazoline, c17h19n3o · ch3so3h |
numbering system
cas number:65-28-1
mdl number:mfcd00134201
einecs number:200-604-6
rtecs number:sl5430000
brn number:none
pubchem number:24277798
physical property data
1. character: white or beige powder
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):180-182 (lit.)
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc, 5.2kpa): unsure
7. refractive index:not sure
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. 17. explosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility:ethanol: 26 mg/mlwater solubility :50 mg/ml
toxicological data
acute toxicity: subcutaneous injection in rats ldlo: 275 mg/kg; rat intravenous ldlo: 75 mg/kg; fareast-language: zh-cn; mso-bidi-language: ar-sa”>mouse intravenous ld50: 75 mg/kg;
rabbit subcutaneous injection ldlo: 200 mg/kg ; rabbit intravenous ldlo: 35 mg/kg
reproduction: rat abdominal cavitytdlo：4 mg/kgsex/duration: female 22 day(s) after conception;
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: 3
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 3
6. topological molecule polar surface area 111
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 456
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
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
this product should be sealed and stored in a dry place.
synthesis method
none yet
purpose
mainly used for cardiovascular system diseases, diabetes, and kidney disease , toxic intestinal paralysis, acute respiratory distress syndrome, bronchiolitis, severe asthma, etc.
r-sa”>reproduction: rat abdominal cavitytdlo：4 mg/kgsex/duration: female 22 day(s) after conception;
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: 3
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 4
5. number of tautomers: 3
6. topological molecule polar surface area 111
7. number of heavy atoms: 26
8. surface charge: 0
9. complexity: 456
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
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
this product should be sealed and stored in a dry place.
synthesis method
none yet
purpose
mainly used for cardiovascular system diseases, diabetes, and kidney disease , toxic intestinal paralysis, acute respiratory distress syndrome, bronchiolitis, severe asthma, etc.
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