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cefoperazone

PropertiesImage
MNX_IDMNXM736483 Image of MNXM736483
referencechebi:3493
formulaC25H27N9O8S2
global charge0
mol weight645.68
InChIKeyGCFBRXLSHGKWDP-XCGNWRKASA-N
InChIInChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
SMILESCCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSC4=NN=NN4C)CS[C@H]23)C2=CC=C(O)C=C2)C(=O)C1=O
MNX internals
InChI (mnx)InChI=1/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1 Image of MNXM736483
SMILES (mnx)[CH3:1][CH2:3][N:32]1[CH2:8][CH2:9][N:33]([C:24](=[N:27][C@H:15]([C:12]2=[CH:5][CH:7]=[C:14]([OH:35])[CH:6]=[CH:4]2)[C:18](=[N:26][C@@H:16]2[C:19](=[O:37])[N:34]3[C:17]([C:23](=[O:40])[OH:41])=[C:13]([CH2:11][S:44][C:25]4=[N:28][N:29]=[N:30][N:31]4[CH3:2])[CH2:10][S:43][C@H:22]23)[OH:36])[OH:42])[C:21](=[O:39])[C:20]1=[O:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3493
chebi:3493
GCFBRXLSHGKWDP-XCGNWRKASA-N 		cefoperazone
(6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure
(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid
CPZ
Cefoperazone
cefobid
cefoperazon
cefoperazono
cefoperazonum

sabiork.compound:9006
sabiorkM:9006
kegg.compound:C06883
keggC:C06883
GCFBRXLSHGKWDP-XCGNWRKASA-N 		Cefoperazone

kegg.drug:D07645
keggD:D07645
GCFBRXLSHGKWDP-XCGNWRKASA-N 		Cefoperazone (INN)
Cefobid (TN)
Peracef [veterinary] (TN)
hmdb:HMDB0015424
GCFBRXLSHGKWDP-XCGNWRKASA-N 		Cefoperazone
(6R,7R)-7-[(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-[(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-[(2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulphanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-{2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetamido}-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefobis
Cefoperazon
Cefoperazone sodium
Cefoperazone sodium salt
Farmasierra brand OF cefoperazone sodium
Pfizer brand OF cefoperazone sodium
Salt, cefoperazone sodium
Sodium salt, cefoperazone
Sodium, cefoperazone
cefoperazonum

seed.compound:cpd04233
seedM:cpd04233
GCFBRXLSHGKWDP-XCGNWRKASA-M 		Cefoperazone
cefoperazone

metacyc.compound:CPD-19953
metacycM:CPD-19953
GCFBRXLSHGKWDP-XCGNWRKASA-N 		cefoperazone

hmdb:HMDB15424
chebi:258120
keggC:M_C06883
keggD:M_D07645
seedM:M_cpd04233 		secondary/obsolete/fantasy identifier