Home Carboxys 1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium hydrogensulfate

1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium hydrogensulfate

CAS No.:
98753-19-6
Catalog Number:
AG00IK5Y
Molecular Formula:
C22H24N6O9S3
Molecular Weight:
612.6558
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$47
- +
1g
In Stock USA
United States
$75
- +
5g
In Stock USA
United States
$255
- +
25g
In Stock USA
United States
$1075
- +
Product Description
Catalog Number:
AG00IK5Y
Chemical Name:
1-(((6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium hydrogensulfate
CAS Number:
98753-19-6
Molecular Formula:
C22H24N6O9S3
Molecular Weight:
612.6558
MDL Number:
MFCD08234364
IUPAC Name:
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrogen sulfate
InChI:
InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1
InChI Key:
RKTNPKZEPLCLSF-QHBKFCFHSA-N
SMILES:
[O-]S(=O)(=O)O.CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cccc2c1CCC2)/c1csc(n1)N
Properties
Complexity:
1040  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
612.077g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
612.647g/mol
Monoisotopic Mass:
612.077g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
290A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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A randomized prospective multicentre trial of cefpirome versus piperacillin-tazobactam in febrile neutropenia. Leukemia & lymphoma 20010701
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Properties