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cefozopran

PropertiesImage
MNX_IDMNXM45991 Image of MNXM45991
referencechebi:3502
formulaC19H17N9O5S2
global charge0
mol weight515.537
InChIKeyQDUIJCOKQCCXQY-WHJQOFBOSA-N
InChIInChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1
SMILESCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3=C4C=CC=NN4C=C3)CS[C@H]12)C1=NSC(N)=N1
MNX internals
InChI (mnx)InChI=1/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1 Image of MNXM45991
SMILES (mnx)[CH3:1][O:33]/[N:24]=[C:11]([C:14]1=[N:23][C:19](=[NH:20])[S:35][NH:25]1)\[C:15](=[N:22]\[C@@H:12]1[C:16](=[O:30])[N:28]2[C:13]([C:18](=[O:31])[O-:32])=[C:9]([CH2:7][N+:26]3=[C:10]4[CH:3]=[CH:2][CH:4]=[N:21][N:27]4[CH:6]=[CH:5]3)[CH2:8][S:34][C@H:17]12)[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3502
chebi:3502
QDUIJCOKQCCXQY-WHJQOFBOSA-N 		cefozopran
(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate
cefozopranum

kegg.drug:D01052
keggD:D01052
QDUIJCOKQCCXQY-WHJQOFBOSA-N 		Cefozopran (INN)
SCE 2787

kegg.compound:C11203
keggC:C11203
QDUIJCOKQCCXQY-WHJQOFBOSA-N 		Cefozopran
SCE 2787

seed.compound:cpd08074
seedM:cpd08074
QDUIJCOKQCCXQY-WHJQOFBOSA-N 		SCE 2787
Cefozopran

keggC:M_C11203
keggD:M_D01052
seedM:M_cpd08074 		secondary/obsolete/fantasy identifier