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Cefetamet Hydrochloride

CAT: 0931-T26974-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26974-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
724438-16-8
Target
Antibacterial, Antibiotic, Others, Drug Metabolite
Related Pathways
Microbiology/Virology, Others, Metabolism
Bioactivity
Cefetamet is a potent antibiotic to treat respiratory and urinary tract infections.
Smiles
C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(N)SC3)=O)C2=O)(SCC1C)[H].Cl
Molecular Formula
C14H16ClN5O5S2
Molecular Weight
433.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
CAS Number724438-16-8
PubChem CID87409980
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Molecular FormulaC14H16ClN5O5S2
Molecular Weight433.9
Topological Polar Surface Area201
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity712
SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O.Cl
InChI
InChI=1S/C14H15N5O5S2.ClH/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6;/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23);1H/b18-7-;/t8-,12-;/m1./s1
InChIKey
KILIJEXWGYQTDT-KYIYMPJCSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride
CAS: 724438-16-8
CID: 87409980
Formula: C14H16ClN5O5S2
MW: 433.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass433.0281387
Monoisotopic Mass433.0281387
Topological Polar Surface Area201 Ų
Heavy Atom Count27
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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