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Structural formula

• 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:57-64-7

MDL number:MFCD00135659

EINECS number:200-343-8

RTECS number:3900576

BRN number:TJ2450000

PubChem number:24869126

Physical property data

None

Toxicological data

1, acute toxicity: human intravenous TDLo: 14ug/kg; rat subcutaneous LD50: 2mg/kg; rat intramuscularLD50: 1280ug/kg; mouse oral LD50: .2500ug/kg;
Mouse abdominal cavity LD50: 640ug/kg; Mouse subcutaneous LD50: 800ug/kg; Mouse vein LD50: 310ug /kg; Dog subcutaneous LDLo: 1200ug/kg; Cat subcutaneous LDLo ?800ug/kg;
Rabbit subcutaneous LDLo: 2mg/kg; Rabbit intramuscular LD50?1570ug/kg
2, reproductive toxicity: male rat abdominal cavity TDLo: 200ug/kg, 1 days before mating

Ecological data

None

Molecular structure data

temporarilynone

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: 7

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 8

6. Topological molecule polar surface area 102

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 535

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

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