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:68-35-9

MDL number:MFCD00006065

EINECS number:200-685-8

RTECS number:WP1925000

BRN number:6733588

PubChem number:24899802

Physical property data

1. Character: white or off-white crystal or powder, odorless, tasteless, gradually darkens when exposed to light

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 253 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper explosion limit (%, V/V): Uncertain

18. The lower explosion limit (%, V/V): Uncertain

19. Solubility: Almost insoluble in water. At 37°C, the solubility in water with pH=5.6 is 13mg/100ml, and the solubility in water with pH=7.5 is 13mg/100ml. 200mg/100ml. Slightly soluble in ethanol or acetone, easily soluble in dilute hydrochloric acid, sodium hydroxide solution or ammonia solution

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 63.14

2. Molar volume (cm³/mol): 167.2

3. Isotonic specific volume (90.2K ): 504.4

4. Surface tension (dyne/cm): 82.6

5. Polarizability (10-24cm3): 25.03

Computing chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 106

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 327

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: 1

Properties and stability

None

Storage method

Store in an airtight container away from light.

Synthesis method

It can be prepared by synthesizing 2-aminopyrimidine from furochloric acid and nitroguanidine, and then condensing and hydrolyzing it with p-acetylbenzenesulfonyl chloride in pyridine.

Purpose

This product is a medium-effective sulfonamide for the treatment of systemic infections. It has a broad antibacterial spectrum and has inhibitory effects on most Gram-positive and negative bacteria. It is effective against Neisseria meningitidis, Streptococcus pneumoniae, Neisseria gonorrhoeae, and hemolytic chain bacteria. The inhibitory effect of cocci is strong and can penetrate into the cerebrospinal fluid through the blood-brain barrier.

It is mainly used clinically for meningococcal meningitis and is the first choice drug for treating meningococcal meningitis. It can also treat other infections caused by the above-mentioned sensitive bacteria. It is also often made into a water-soluble sodium salt and used as an injection.

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