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Cefmetazole Sodium

CAT: 1299-RM-C132600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C132600-01Size:10 mg
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CAS Number
56796-39-5
Synonyms
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
Molecular Formula
C15H16N7O5S3 Na
Molecular Weight
470.52 22.99
Target Alternative Name
Cefmetazole
Product Name Synonym
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

Chemical Information

Cefmetazole Sodium

Cefmetazole sodium is an organic sodium salt that is the sodium salt of cefmetazole. It has a role as an antimicrobial agent. It contains a cefmetazole(1-).

CAS Number56796-39-5
PubChem CID23666711
IUPAC Namesodium (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
Molecular FormulaC15H16N7NaO5S3
Molecular Weight493.5
Topological Polar Surface Area242
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity824
SMILES
CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+]
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
InChIKey
BITQGIOJQWZUPL-PBCQUBLHSA-M
Chemical Structure
2D Structure
2D structure of Cefmetazole Sodium
CAS: 56796-39-5
CID: 23666711
Formula: C15H16N7NaO5S3
MW: 493.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass493.02727444
Monoisotopic Mass493.02727444
Topological Polar Surface Area242 Ų
Heavy Atom Count31
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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