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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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;
Mouse subcutaneous LD50: 278mg/kg; Mouse intravenous LD50：18mg/kg
2, other multiple dose toxicity: rats Abdominal TDLo: 3680mg/kg/92D-I

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

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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Properties and stability

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Storage method

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Synthesis method

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Purpose

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