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Home Carboxys Sodium (6R,7R)-7-(R)-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate (ester)

Sodium (6R,7R)-7-(R)-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate (ester)

CAS No.:
42540-40-9
Catalog Number:
AG00I88D
Molecular Formula:
C19H17N6NaO6S2
Molecular Weight:
512.4946
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$53
- +
5g
98%(HPLC)
In Stock USA
United States
$151
- +
25g
98%(HPLC)
In Stock USA
United States
$521
- +
Product Description
Catalog Number:
AG00I88D
Chemical Name:
Sodium (6R,7R)-7-(R)-mandelamido-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate formate (ester)
CAS Number:
42540-40-9
Molecular Formula:
C19H17N6NaO6S2
Molecular Weight:
512.4946
MDL Number:
MFCD00864877
IUPAC Name:
sodium;(6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1
InChI Key:
ICZOIXFFVKYXOM-YCLOEFEOSA-M
SMILES:
O=CO[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1.[Na+]
EC Number:
255-877-4
UNII:
8HDO7941DO
Properties
Complexity:
844  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
512.055g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
512.491g/mol
Monoisotopic Mass:
512.055g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Water state effect on drug release from an antibiotic loaded polyurethane matrix containing albumin nanoparticles. International journal of pharmaceutics 20110404
Estimation of the two sample preparation techniques for infrared spectroscopic identification of Cefamandole nafate in solid state. Pharmeuropa scientific notes 20070901
Kinetics of cefamandole nafate degradation in solid phase. Farmaco (Societa chimica italiana : 1989) 20030401
Development of meningitis during therapy with cefamandole. Pediatrics 19810501
Properties