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Ceforanide

CAT: 0607-BA1069-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1069-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60925-61-3
Form
A solid
Molecular Formula
C20H21N7O6S2
Molecular Weight
519.55
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C.

Chemical Information

Ceforanide

Ceforanide is a second-generation cephalosporin antibiotic with {[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and 2-(aminomethyl)phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is effective against many coliforms, including Escherichia coli, Klebsiella, Enterobacter and Proteus, and most strains of Salmonella, Shigella, Hemophilus, Citrobacter and Arizona species. It has a role as an antibacterial drug.

CAS Number60925-61-3
PubChem CID43507
IUPAC Name(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC20H21N7O6S2
Molecular Weight519.6
XLogP-3.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity905
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O
InChI
InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1
InChIKey
SLAYUXIURFNXPG-CRAIPNDOSA-N
Chemical Structure
2D Structure
2D structure of Ceforanide
CAS: 60925-61-3
CID: 43507
Formula: C20H21N7O6S2
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP3-3.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass519.09947376
Monoisotopic Mass519.09947376
Topological Polar Surface Area244 Ų
Heavy Atom Count35
Formal Charge0
Complexity905
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes