ceforanide (CHEBI:3495)

CHEBI:3495 - ceforanide

ChEBI ID	CHEBI:3495
ChEBI Name	ceforanide
Stars
Definition	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.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C20H21N7O6S2
Net Charge	0
Average Mass	519.565
Monoisotopic Mass	519.09947
SMILES	[H][C@]12SCC(CSc3nnnn3CC(=O)O)=C(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)Cc1ccccc1CN
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

Wikipedia

Roles Classification

antibacterial drug A drug used to treat or prevent bacterial infections.

drug allergen Any drug which causes the onset of an allergic reaction.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

antibacterial drug A drug used to treat or prevent bacterial infections.

drug allergen Any drug which causes the onset of an allergic reaction.

ChEBI Ontology

Outgoing Relation(s)
	ceforanide (CHEBI:3495) has role antibacterial drug (CHEBI:36047)
	ceforanide (CHEBI:3495) is a cephalosporin (CHEBI:23066)

IUPAC Name
(6R,7R)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Synonyms	Source
(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	DrugBank
7-[O-(aminomethyl)phenylacetamido]-3-[[[1-(carboxymethyl)-1H-tetrazol-5-yl]thio]methyl]-3-cephem-4-carboxylic acid	ChEBI
7β-[2-(aminomethyl)phenyl]acetamido-3-{[1-(carboxymethyl)-1H-tetrazol-5-yl]sulfanyl}methyl-3,4-didehydrocepham-4-carboxylic acid	IUPAC
Ceforanide	KEGG COMPOUND