Home Carboxys 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7S)-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7S)-

CAS No.:
56796-39-5
Catalog Number:
AG00IA4D
Molecular Formula:
C15H16N7NaO5S3
Molecular Weight:
493.5162
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
860 to 1003 µg/mg as anhydrous Cefmetazole [C15H17N7O5S3]
1 week
United States
$126
- +
5g
860 to 1003 µg/mg as anhydrous Cefmetazole [C15H17N7O5S3]
1 week
United States
$371
- +
25g
860 to 1003 µg/mg as anhydrous Cefmetazole [C15H17N7O5S3]
1 week
United States
$1485
- +
Product Description
Catalog Number:
AG00IA4D
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[[(cyanomethyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, (6R,7S)-
CAS Number:
56796-39-5
Molecular Formula:
C15H16N7NaO5S3
Molecular Weight:
493.5162
MDL Number:
MFCD00214260
IUPAC Name:
sodium;(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1
InChI Key:
BITQGIOJQWZUPL-PBCQUBLHSA-M
SMILES:
N#CCSCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C.[Na+]
UNII:
37Y9VR4W7A
Properties
Complexity:
824  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
493.027g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
493.507g/mol
Monoisotopic Mass:
493.027g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
242A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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