Ceftobiprole Medocaril Sodium
(6R,7R)-7-[[(2Z)-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-carboxylic acid
Molecular Identity
Ceftobiprole Medocaril Sodium
(6R,7R)-7-[[(2Z)-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-carboxylic acid
PubChem CID: 135413544
Ceftobiprole medocaril is a cephalosporin. It has a role as a prodrug.
2D Structure
Properties
C26H26N8O11S2
Molecular Formula
690.70
Molecular Weight
g/mol
690.1162
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
310
TPSA
May have limited oral absorption
4
H-Bond Donors
17
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
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=OIsomeric SMILES
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=OSynonyms(20)
Ceftobiprole medocarilBAL5788Ceftobiprole medocaril sodium salt(6R,7R)-7-[[(2Z)-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-carboxylic acidRo 65-5788DTXSID601021562BAL 5788BAL-5788Ro-655788BAL5788-001Ro-65-5788BAL-5788-001(6R,7R)-7-(((2Z)-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-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(5-amino-1,2,4-thiadiazol-3-yl) (hydroxyimino)acetyl)amino)-3-((E)-((3'R)-1'-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-2-oxo(1,3'-bipyrrolidin)-3-ylidene)methyl)-8-oxo-, monosodium salt, (6R,7R)-RefChem:918194
Data from PubChem (NCBI)
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