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Ceftobiprole medocaril sodium , Bacterial penicillin-binding protein inhibitor, CAS No.135582802, Bacterial penicillin-binding protein inhibitor
Basic Description
Synonyms | Ceftobiprole medocaril sodium | Q27284724 | CHEMBL4297101 | BAL5788 (sodium) |
Action Type | INHIBITOR |
Mechanism of action | Bacterial penicillin-binding protein inhibitor |
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Names and Identifiers
IUPAC Name | sodium;(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy |
INCHI | InChI=1S/C26H26N8O11S2.Na/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18;/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31);/q;+1/p-1/b11-6 |
InChi Key | MFAWUGGPPMTWPU-INRVRKGJSA-M |
Canonical SMILES | CC1=C(OC(=O)O1)COC(=O)N2CCC(C2)N3CCC(=CC4=C(N5C(C(C5=O)NC(=O)C(=NO)C6=NSC(=N6)N)SC4)C(=O)[O-])C3=O.[Na+] |
Isomeric SMILES | CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N/O)/C6=NSC(=N6)N)SC4)C(=O)[O-])/C3=O.[Na+] |
PubChem CID | 135582802 |
Molecular Weight | 712.6 |
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