Details of the Drug

General Information of Drug (ID: DM4CHN0)

Drug Name
Cefuroxime axetil
Synonyms
cefuroxime axetil; Ceftin; Zinnat; Elobact; Zinat; Cefuroxime 1-acetoxyethyl ester; Bioracef; CXM-AX; Coliofossim; Furoxime; Cetoxil; Celocid; Cethixim; Nivador; Medoxm; Kalcef; Zoref; Sharox-500; UNII-Z49QDT0J8Z; DRG-0157; SN 407; CCI 15641; CCI-15641; Cepazine; CCI 1564; BRN 6854419; Z49QDT0J8Z; CHEBI:3516; (RS)-1-Hydroxyethyl (6R,7R)-7-(2-(2-furyl)glyoxylamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 7(sup 2)-(Z)-(O-methyloxime), 1-acetate 3-carbamate; C20H22N4O10S; Cefazine; Altacef
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 510.5
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C20H22N4O10S
IUPAC Name
1-acetyloxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Canonical SMILES
CC(OC(=O)C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N
InChI
InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1
InChIKey
KEJCWVGMRLCZQQ-YJBYXUATSA-N
Cross-matching ID
PubChem CID
6321416
ChEBI ID
CHEMBL1095930
CAS Number
64544-07-6
VARIDT ID
DR01519
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Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Peptide transporter 1 (SLC15A1) DT9G7XN S15A1_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Intestinal transport of beta-lactam antibiotics: analysis of the affinity at the H+/peptide symporter (PEPT1), the uptake into Caco-2 cell monolayers and the transepithelial flux. Pharm Res. 1999 Jan;16(1):55-61.