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Cefamandole lithium

CAT: 0931-T201722-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201722-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58648-57-0
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Cefamandole (lithium), a second-generation broad-spectrum cephalosporin antibiotic, exhibits antimicrobial activity. Upon metabolism in the body, it releases free NMTT, which can lead to hypoprothrombinemia.
Smiles
[O-]C(C1=C(CSC2=NN=NN2C)CS[C@@]([C@@H]3NC([C@@H](C4=CC=CC=C4)O)=O)([H])N1C3=O)=O.[Li+]
Molecular Formula
C18H17LiN6O5S2
Molecular Weight
468.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cefamandole lithium
CAS Number58648-57-0
PubChem CID90669796
IUPAC Namelithium (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC18H17LiN6O5S2
Molecular Weight468.5
Topological Polar Surface Area204
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity783
SMILES
[Li+].CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)[O-]
InChI
InChI=1S/C18H18N6O5S2.Li/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1
InChIKey
VLJXYASGGIMGRO-CFOLLTDRSA-M
Chemical Structure
2D Structure
2D structure of Cefamandole lithium
CAS: 58648-57-0
CID: 90669796
Formula: C18H17LiN6O5S2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass468.08618845
Monoisotopic Mass468.08618845
Topological Polar Surface Area204 Ų
Heavy Atom Count32
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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