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Cefamandole (lithium)

CAT: 0804-HY-B1128B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1128B-01Size:5 mg
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Description
Cefamandole (Cephamandole) lithium is a second-generation broad-spectrum cephalosporin antibiotic with antibacterial activity. Cefamandole lithium breaks down in the body and then releases free NMTT, which can lead to low prothrombinemia[1].
CAS Number
58648-57-0
Product Name Alternative
Cephamandole (lithium)
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/cefamandole-lithium.html
Smiles
O=C(C(N12)=C(CSC3=NN=NN3C)CS[C@]2([H])[C@H](NC([C@H](O)C4=CC=CC=C4)=O)C1=O)O[Li]
Molecular Formula
C18H17LiN6O5S2
Molecular Weight
468.44
References & Citations
[1]Neu HC. Cefamandole, a cephalosporin antibiotic with an unusually wide spectrum of activity. Antimicrob Agents Chemother. 1974 Aug;6 (2) :177-82.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

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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