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122841-12-7 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)
CAS No: 122841-12-7 Catalog No: AG000JL0 MDL No:MFCD01940015
Product Description
Catalog Number:
AG000JL0
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)
CAS Number:
122841-12-7
Molecular Formula:
C19H24N8O10S3
Molecular Weight:
620.6365
MDL Number:
MFCD01940015
IUPAC Name:
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid
InChI:
InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/m1./s1
InChI Key:
LZOLCSVRFKCSEM-ZQCAECPKSA-N
SMILES:
OS(=O)(=O)O.OCCn1c(=N)ccn1CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N
UNII:
6EY42207VS
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
620.078g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
620.627g/mol
Monoisotopic Mass:
620.078g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
334A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Human organic anion transporter hOAT3 is a potent transporter of cephalosporin antibiotics, in comparison with hOAT1. | Biochemical pharmacology 20051001 |
| Cefoselis, a beta-lactam antibiotic, easily penetrates the blood-brain barrier and causes seizure independently by glutamate release. | Journal of neural transmission (Vienna, Austria : 1996) 20041201 |
| Intracerebroventricular injection of the antibiotic cefoselis produces convulsion in mice via inhibition of GABA receptors. | Pharmacology, biochemistry, and behavior 20021201 |
| Antimicrobial susceptibility of major pathogens of orofacial odontogenic infections to 11 beta-lactam antibiotics. | Oral microbiology and immunology 20021001 |
| The beta-lactam antibiotics, penicillin-G and cefoselis have different mechanisms and sites of action at GABA(A) receptors. | British journal of pharmacology 20020101 |
| Effect of experimental renal failure on the pharmacodynamics of cefoselis-induced seizures in rats. | Biological & pharmaceutical bulletin 20010901 |
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