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85-73-4 | Phthalylsulfathiazole
CAS No: 85-73-4 Catalog No: AG004S7B MDL No:MFCD00005318
Product Description
Catalog Number:
AG004S7B
Chemical Name:
Phthalylsulfathiazole
CAS Number:
85-73-4
Molecular Formula:
C17H13N3O5S2
Molecular Weight:
403.4322
MDL Number:
MFCD00005318
IUPAC Name:
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChI Key:
PBMSWVPMRUJMPE-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
EC Number:
201-627-4
UNII:
6875L5852V
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.03g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
403.427g/mol
Monoisotopic Mass:
403.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Metabolic fate of orally administered phyllodulcin in rats. | Journal of natural products 20040901 |
| Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase. | Proteins 19970901 |
| Efficacy of 101 antimicrobials and other agents on the development of Cryptosporidium parvum in vitro. | Annals of tropical medicine and parasitology 19961201 |
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