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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:129-17-9

MDL number:MFCD00012119

EINECS number:204-934-1

RTECS number:BP6830000

BRN number:None

PubChem number:24851867

Physical property data

None yet

Toxicological data

, Acute Toxicity: Men intravenously LDLO: 33ug/kg

Rat oral LD: >3gm/kg

Rat intravenous LD5O: 5gm/kg

Mouse transabdominal LD5O: 3gm/kg

Mouse intravenously LD5O: 1200mg/kg

2, other multiple dose toxicity: rat inhalationTCLO：110mg/m³/13W-I

3, tumorigenicity: rats subcutaneously TDLO: 3000mg/kg/33W-I

Rat intramuscular TDLO: 2070mg/kg/50W-I

Rat subcutaneous TD: 4050mg/kg/45W-I

4, mutagenicity: Salmonella gene mutation testing system: 1mg/plate

Mouse abdominal micronucleus test: 200mg/kg

Ecological data

None yet

Molecular structure data

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 137

7. Number of heavy atoms: 38

8. Surface charge: 0

9. Complexity: 1040

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

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Synthesis method

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Purpose

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