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60200-06-8 molecular structure
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4-amino-6-(trichloroethenyl)benzene-1,3-disulfonamide

ChemBase ID: 73230
Molecular Formular: C8H8Cl3N3O4S2
Molecular Mass: 380.65582
Monoisotopic Mass: 378.90218079
SMILES and InChIs

SMILES:
c1(c(cc(c(c1)N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
Canonical SMILES:
ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
InChI:
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChIKey:
QOVTVIYTBRHADL-UHFFFAOYSA-N

Cite this record

CBID:73230 http://www.chembase.cn/molecule-73230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-6-(trichloroethenyl)benzene-1,3-disulfonamide
IUPAC Traditional name
clorsulon
Synonyms
Clorsulon
4-Amino-6-(trichlorovinyl)-1,3-benzenedisulfonamide
Clorsulon
4-Amino-6-(1,2,2-trichloroethenyl)-1,3-benzenedisulfonamide
4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide
Curatrem
L 631529
MK 401
4-氨基-6-(三氯乙烯基)-1,3-苯二磺酰胺
氯舒隆
CAS Number
60200-06-8
EC Number
262-100-2
MDL Number
MFCD00072006
PubChem SID
24860671
162038150
PubChem CID
43231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 43231 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.608684  H Acceptors
H Donor LogD (pH = 5.5) 0.0014448083 
LogD (pH = 7.4) -8.9938194E-4  Log P 0.0014749547 
Molar Refractivity 89.8763 cm3 Polarizability 31.498446 Å3
Polar Surface Area 146.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Crystalline Solid expand Show data source
Melting Point
194-203°C expand Show data source
Storage Condition
-20°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
VETRANAL™, analytical standard expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C8H8Cl3N3O4S2 expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
Selleck Chemicals - S2613 external link
Research Area: Metabolic Disease
Biological Activity:
Clorsulon is a competitive 8-phosphoglycerate kinase and phospho-glyceromutase inhibitor. Clorsulon is used as a potent internal and external parasites inhibitor. Clorsulon is an antihelminthic compound. [1] Clorsulon is agent belonging to the benzenesulphonamide family which is recommended for the treatment and control of adult liver flukes in cattle as suspension for oral use or injectable formulations for subcutaneous administrations. Clorsulon inhibits the enzymes involved in the glycolytic pathway, the primary source of energy in flukes. Clorsulon also depresses ATP levels in the fluke. The acute toxicity of clorsulon is tested after oral and intraperitoneal administration in mice and rats. The oral LD50 value is higher than 10g/kg body weight in both species while those obtained after intraperitoneal administrations ranged between 678 to 938 mg/kg body weight.References on Clorsulon[1] J Egypt Soc Parasitol., 2007, 37(1):171-88
Sigma Aldrich - 33973 external link
Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC
Toronto Research Chemicals - C587380 external link
A benzenedisulfonamide derivative with fasciolicidal activity. Anthelmintic (Trematodes).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mossallam SF, et al. J Egypt Soc Parasitol. 2007;37(1):171-88.
  • • Mrozik, H., et al.: J. Med. Chem., 20, 1225 (1977)
  • • Ostlind, D.A., et al.: Br. Vet. J., 133, 211 (1977)
  • • Schulman, M.D., et al.: J. Parasitol., 65, 555 (1977)
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PATENTS

PATENTS

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INTERNET

INTERNET

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