Guanethidine Hemisulfate Guanethidine Hemisulfate
Structural formula
| Business number | 01AX |
|---|---|
| Molecular formula | C20H44N8·H2SO4 |
| Molecular weight | 494.70 |
| label |
guanethidine, 1-(2-guanidineethyl)azacyclooctane, 2-(1′-Azacyclooctyl)ethylguanidine Hemisulfate, 2-(1-N,N-Heptamethyleneimino)ethylguanidine Hemisulfate |
Numbering system
CAS number:60-02-6
MDL number:MFCD00079332
EINECS number:200-452-0
RTECS number:MF3240000
BRN number:None
PubChem ID:None
Physical property data
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Toxicological data
1, acute toxicity: rat oral LD50: 1mg/kg; rat intravenous LD50: 23mg/kg; mouse intravenous Oral LD50: 1100mg/kg; mouse abdominal cavity LD50: 112mg/kg; 3, Reproductive toxicity: MenTDLo: 391 mg/kg, 78 weeks before mating; rat intramuscular TDLo: 1400 mg/kg, 56 days before mating; female rats Parenteral TDLo: 900mg/kg, 1-22 days after conception
Mouse subcutaneous LD50: 278mg/kg; Mouse intravenous LD50：18mg/kg
2, other multiple dose toxicity: rats Abdominal TDLo: 3680mg/kg/92D-I
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: 6
3. Number of hydrogen bond acceptors: 12
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: 3
6. Topological molecular polar surface area (TPSA):210
7. Number of heavy atoms: 33
8. Surface charge: 0
9. Complexity: 248
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
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
<P class=MsoNormal style="MARGIN: 0cm 0cmsp; Topological molecular polar surface area (TPSA): 210
7. Number of heavy atoms: 33
8. Surface charge: 0
9. Complexity: 248
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
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: 3
Properties and stability
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Storage method
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Synthesis method
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Purpose
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0pt 36pt; TEXT-INDENT: -18pt; TEXT-ALIGN: left; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>15. Number of covalent bond units: 3
Properties and stability
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Storage method
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Synthesis method
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Purpose
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