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Policresulen

CAS No.:
101418-00-2
Catalog Number:
AG0004GC
Molecular Formula:
C8H10O5S
Molecular Weight:
218.2270
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Product Description
Catalog Number:
AG0004GC
Chemical Name:
Policresulen
CAS Number:
101418-00-2
Molecular Formula:
C8H10O5S
Molecular Weight:
218.2270
MDL Number:
MFCD00869035
IUPAC Name:
2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
InChI:
InChI=1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)
InChI Key:
ACZKMKGNTMOPBD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)S(=O)(=O)O.C=O
Properties
Complexity:
1140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.043g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
588.613g/mol
Monoisotopic Mass:
588.043g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Ovarian hydrobursitis in female camels (Camelus dromedarius): the role of Chlamydophila abortus and a trial for medical treatment. Theriogenology 20120601
Evaluating the effectiveness of different treatments of uterine infections in female camels (Camelus dromedarius). Theriogenology 20100701
[Treatment of chronic bovine endometritis and factors for treatment success]. DTW. Deutsche tierarztliche Wochenschrift 20050101
Local utilization of metacresolsulfonic acid combined with streptomycin in the treatment of actinomycosis. Annals of the New York Academy of Sciences 20041001
Properties