structural formula
| business number | 016j |
|---|---|
| molecular formula | c11h16n2o2·hcl |
| molecular weight | 244.72 |
| label |
pilocarpine hydrochloride, (3s,4r)-4,5-dihydro-3-ethyl-4-(1-methyl-1h-imidazol-5-ylmethyl)-2(3h)-furanone hydrochloride, (3s,4r)-4,5-dihydro-3-ethyl-4-(1-methyl-1h-imidazole-5-methyl)-2(3h)furanone hydrochloride |
numbering system
cas number:54-71-7
mdl number:mfcd00012722
einecs number:200-212-5
rtecs number:tk1450000
brn number:4034491
pubchem number:24277862
physical property data
1. properties: white crystal. slightly bitter. hygroscopic. sensitive to light.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 204～205
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): [ α]d18 +91° (c=2)
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/ mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water ( log value of the partition coefficient (octanol/water): undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/ v): undetermined
19. solubility: 1g product is soluble in 0.3ml water, 3ml ethanol, 366ml chloroform, and insoluble in ether.
toxicological data
1. acute toxicity: men, eye contact tdlo: 200ug/kg/7h-i; mouse abdominal ld50: 203mg/kg; rat subcutaneous ld50: 230 mg/kg; mouse oral ld50: 200 mg/kg; small mouse abdominal ld50: 155mg/kg; mouse subcutaneous: 200 mg/kg; mouse intravenous ld50: 150 mg/kg; guinea pig arterial ldlo: 20 mg/kg; pigeon intravenous ldlo: 353 mg/kg1, 2. reproductive toxicity: male rat subcutaneous tdlo: 130mg/kg, conception after 7-19 days; female rabbit subcutaneous tdlo: 20mg/kg, conception after 24-27 days; male cow subcutaneously: 800ug/kg 1 day before mating
ecological data
none
molecular structure data
1. molar refractive index: 57.02
2. molar volume (cm3/mol): 170.1
3. isotonic specific volume (90.2k): 433.1
4. surface tension (dyne/cm): 41.9
5. polarizability (10-24cm3): 22.60
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecular polar surface area (tpsa): 44.1
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 245
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 2
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters number: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
this product should be sealed and stored in a cool, dry and dark place.
synthesis method
none
purpose
biochemical research.
extended-reading:https://www.newtopchem.com/archives/39983extended-reading:https://www.bdmaee.net/dabco-t-120-catalyst-cas77-58-7–germany/extended-reading:https://www.newtopchem.com/archives/979extended-reading:https://www.newtopchem.com/archives/1758extended-reading:https://www.bdmaee.net/nt-cat-pc46-catalyst-cas127-08-2-newtopchem/extended-reading:https://www.bdmaee.net/jeffcat-zf-26-catalyst-cas3033-62-3-/extended-reading:https://www.newtopchem.com/archives/category/products/page/70extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/33-7.jpgextended-reading:https://www.bdmaee.net/organic-mercury-replacement-catalyst-nt-cat-e-at/extended-reading:https://www.bdmaee.net/nt-cat-1028-catalyst-cas100515-56-6-newtopchem/
