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Ceftezole sodium

CAS No.:
41136-22-5
Catalog Number:
AG019FUP
Molecular Formula:
C13H11N8NaO4S3
Molecular Weight:
462.4624
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$47
- +
10mg
98%(HPLC)
In Stock USA
United States
$75
- +
25mg
98%(HPLC)
In Stock USA
United States
$130
- +
100mg
98%(HPLC)
In Stock USA
United States
$353
- +
Product Description
Catalog Number:
AG019FUP
Chemical Name:
Ceftezole sodium
CAS Number:
41136-22-5
Molecular Formula:
C13H11N8NaO4S3
Molecular Weight:
462.4624
MDL Number:
MFCD01682031
IUPAC Name:
sodium;(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1
InChI Key:
UGUMHWUOXWFPFH-JHQAJZDGSA-M
SMILES:
O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nncs1)Cn1cnnn1.[Na+]
UNII:
3NHZ4Y117H
Properties
Complexity:
716  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
461.996g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
462.453g/mol
Monoisotopic Mass:
461.996g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
[Approach to the crystalline characteristics of ceftezole sodium]. Yao xue xue bao = Acta pharmaceutica Sinica 20020401
Properties