Search MNXref
 Feedback

cloxacillin

PropertiesImage
MNX_IDMNXM154883 Image of MNXM154883
referencechebi:49566
formulaC19H18ClN3O5S
global charge0
mol weight435.889
InChIKeyLQOLIRLGBULYKD-JKIFEVAISA-N
InChIInChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
SMILESCC1=C(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)C(C2=CC=CC=C2Cl)=NO1
MNX internals
InChI (mnx)InChI=1/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1 Image of MNXM154883
SMILES (mnx)[CH3:1][C:8]1=[C:11]([C:15](=[N:21][C@@H:13]2[C:16](=[O:25])[N:23]3[C@@H:14]([C:18](=[O:26])[OH:27])[C:19]([CH3:2])([CH3:3])[S:29][C@H:17]23)[OH:24])[C:12]([C:9]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:10]2[Cl:20])=[N:22][O:28]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49566
chebi:49566
LQOLIRLGBULYKD-JKIFEVAISA-N 		cloxacillin
(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(3-(o-chlorophenyl)-5-methyl-4-isoxazolyl)penicillin
2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylic acid
6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
CLOXACILLIN
Cloxacillin
cloxacilina
cloxacilline
cloxacillinum

kegg.compound:C06923
keggC:C06923
LQOLIRLGBULYKD-JKIFEVAISA-N 		Cloxacillin

kegg.drug:D07733
keggD:D07733
LQOLIRLGBULYKD-JKIFEVAISA-N 		Cloxacillin (INN)
Orbenin (TN)
hmdb:HMDB0015278
LQOLIRLGBULYKD-JKIFEVAISA-N 		Cloxacillin
(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(3-(O-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin
6-(3-(O-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanate
6-(3-(O-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid
Chloroxacillin
Cloxacilina
Cloxacillin sodium
Cloxacillin, sodium
Cloxacilline
Cloxacillinum
MCIPC
Orbenin
Sodium cloxacillin
Sodium, cloxacillin
Syntarpen
Tegopen
cloxacillin

sabiork.compound:20023
sabiorkM:20023
LQOLIRLGBULYKD-JKIFEVAISA-N 		Cloxacillin
7-[3-(2-chlorophenyl)-5-methyl-oxazol-4-yl]carbonylamino-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid

seed.compound:cpd04264
seedM:cpd04264
LQOLIRLGBULYKD-JKIFEVAISA-M 		Cloxacillin
Clossacillina [DCIT]
Methocillin S
Spectrum 001345
Syntarpen
cloxacillin

CHEBI:51350
chebi:51350
LQOLIRLGBULYKD-JKIFEVAISA-M 		cloxacillin(1-)
2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate

metacyc.compound:CPD-9225
metacycM:CPD-9225
LQOLIRLGBULYKD-JKIFEVAISA-M 		cloxacillin
Clossacillina [DCIT]
Methocillin S
Spectrum 001345
Syntarpen

hmdb:HMDB15278
chebi:3765
chebi:49565
keggC:M_C06923
keggD:M_D07733
seedM:M_cpd04264 		secondary/obsolete/fantasy identifier