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.